[Molden Format] [Molpro variables] _NUMVAR= 787.0000000000000 _AVOGAD= 0.6022136736000000E+24 _BOLTZ= 0.1380658000000000E-22 _CLIGHT= 29979245800.00000 _EV2006= 0.3674930886769165E-01 _EV= 0.3674932534394180E-01 _ENULL= 0.8854187817000000E-11 _KJOULE= 0.3808798324128737E-03 _KJOULE/MOL= 0.3808798324128737E-03 _CM= 0.4556335267302901E-05 _CM-1= 0.4556335267302901E-05 _DEB2SI= 0.3335641000000000E-29 _AMU2AU= 1822.888390000000 _KCAL= 0.1593601117815568E-02 _KCAL/MOL= 0.1593601117815568E-02 _KELVIN2006= 0.3166828861084835E-05 _KELVIN= 0.3166814820820034E-05 _JOULE= 0.4359748200000000E-17 _HERTZ2006= 0.1519829850815779E-15 _HERTZ= 0.1519829846011223E-15 _HZ2006= 0.1519829850815779E-15 _HZ= 0.1519829846011223E-15 _JPCAL= 4.184000000000000 _PLANCK= 0.6626075540000000E-33 _TOA2006= 0.5291772490000000 _TOA= 0.5291772090000000 _TOANG2006= 0.5291772490000000 _TOANG= 0.5291772090000000 _TORAD= 0.1745329251994330E-01 _TOCM= 219474.6306700000 _TODEBYE= 2.541580000000000 _TOEV2006= 27.21139610000000 _TOE= 0.4803242000000000E-09 _TOEV= 27.21138390000000 _TOHERTZ2006= 6579683899900000. _TOHERTZ= 6579683920700000. _TOHZ2006= 6579683899900000. _TOHZ= 6579683920700000. _TOK2006= 315773.3000000000 _TOK= 315774.7000000000 _TOKCAL= 627.5096000000000 _TOKELVIN2006= 315773.3000000000 _TOKELVIN= 315774.7000000000 _TOKJ= 2625.500000000000 _TOKJOULE= 2625.500000000000 _TOKG= 0.1660565586000000E-26 _ANG2006= 1.889725988578923 _ANG= 1.889726131421507 _ANGSTROM2006= 1.889725988578923 _ANGSTROM= 1.889726131421507 _RPAREF= 0.000000000000000 _RPADISS= 0.000000000000000 _IGNORE_UNDEF= 2.000000000000000 _STRICTCHECK= 0.000000000000000 _SEW_ONEEL= 0.000000000000000 _CPPDONE=FALSE _DKROLL_DONE= 0.000000000000000 _FOCKDONE=TRUE _GRADONE=FALSE _HESSDONE=FALSE _INTDONE=TRUE _SCFDONE=TRUE _MODUL_BLOCK=FALSE _MODUL_CUDA=FALSE _MODUL_SLATER=FALSE _MODUL_MRCC=FALSE _MODUL_NBO6=FALSE _MODUL_NECI=TRUE _MODUL_AIMS=TRUE _MRCC_EXEC= _FITC_AO_SAVED=FALSE _FITC_MO_SAVED=FALSE _SHARED_FS=TRUE _LSTYP=SEWARD _INTYP=INTS _GEOMTYP=ZMAT _GRADTYP=ALASKA _DIRECT=FALSE _DKHO= -1.000000000000000 _SYNCM= 0.000000000000000 _BASIS=AVTZ _ZORIENT= 1.000000000000000 _NELEC= 22.00000000000000 !SPIN= 0.000000000000000 _QSDSTEP= 0.000000000000000 _QSDIRC= 0.000000000000000 _PROGRAM=RHF-SCF _CPUSTEP= 0.9000000000000008E-01 _SYSSTEP= 0.2000000000000002E-01 _WALLSTEP= 0.1100000000000000 !DFSCF= 0.000000000000000 !SCSGRD= 0.000000000000000 _BASINP= 610.0000000000000 _CPUTOT= 0.8800000000000000 _CPUSORT= 0.3799999999999999 _SYSSORT= 0.3999999999999999E-01 _WALLSORT= 0.4199999999254942 _DFTEXFAC= 1.000000000000000 _DMX= 0.000000000000000 _DMY= 0.000000000000000 _DMZ=-0.2431980547397514 _DMX_SCF= 0.000000000000000 _DMY_SCF= 0.000000000000000 _DMZ_SCF=-0.2431980547397514 _EHOMO=-0.4918178515804723 _ELUMO= 0.6699118678586051E-01 _ENERGY= -183.7514644768086 _ENUC= 60.82288135643515 _GRADEXFAC= 9999.000000000000 _GRADMETHOD= 1.000000000000000 _NMRMETHOD= 0.000000000000000 !GRID_FREEZE= -1.000000000000000 _ITERATIONS= 10.00000000000000 _LASTNELEC= 22.00000000000000 _LASTSPIN= 0.000000000000000 _LASTSYM= 1.000000000000000 _MPP_PROG= 1.000000000000000 _NPROC_MPP= 10.00000000000000 _NPROC_MPPX= 10.00000000000000 _NPROC_SMP= 1.000000000000000 _NUMSTEP= 0.000000000000000 _ORBITAL= 2100.200000000000 _PI= 3.141592653589793 _SEIG_MIN= 0.4690779623445359E-04 _SEWPROP=TRUE _STATUS= 1.000000000000000 _SYSTOT= 0.1200000000000000 _VERSION= 2012001.000000000 _WALLTOT= 1.550000000000000 _DATE=05-Oct-17 _LASTORB=RHF _MACHINE=Linux-2.6.32-696.10.3.el6.x86_64/nxt2063(x86_64) 64 bit mpp version _OUTPUT=/scratch/user/r-lucchese/H2ONormMode5307/molpro.xml _PGROUP=C2v _TIME=18:54:11 _LIBMOL=/general/software/x86_64/lms/molpro-2012.1_patch_level-16/lib/ !VIBCNT= 0.000000000000000 !RGHFCNT= 0.000000000000000 !SURFREC= 0.000000000000000 !POLYREC= 0.000000000000000 !DIPREC= 0.000000000000000 !VSCFREC= 0.000000000000000 !VCIREC= 0.000000000000000 !PVCIREC= 0.000000000000000 !VMP2REC= 0.000000000000000 !VMCSCFREC= 0.000000000000000 !VMRCIREC= 0.000000000000000 !VIBINFO= 0.000000000000000 !GAREC= 0.000000000000000 !SCFORB= 21002.00000000000 !NEWMOL= -1.000000000000000 !NEWSYM= -1.000000000000000 _SLFILES=slscratch _NGSSTO= 9.000000000000000 _SIN=SIN _COS=COS _TAN=TAN _ACOS=ACOS _ASIN=ASIN _ATAN=ATAN _COSH=COSH _SINH=SINH _TANH=TANH _ABS=ABS _MOD=MOD _ERF=ERF _REFC=REFC _ERFC=ERFC _HYPOT=HYPOT _J0=J0 _J1=J1 _JN=JN _GAMMA=GAMMA _LGAMMA=LGAMMA _Y0=Y0 _Y1=Y1 _YN=YN _EXP=EXP _LOG=LOG _LOG10=LOG10 _SQRT=SQRT _INT=INT _NINT=NINT _MAX=MAX _MIN=MIN _COSMO= 0.000000000000000 _COSMOIT= 0.000000000000000 _COSMOES= 0.000000000000000 _COSMOEDS= 0.000000000000000 _COSMOEC= 0.000000000000000 _COSMOEDCORR= 0.000000000000000 _FEPSI= 1.000000000000000 _SL_IsMM= 0.000000000000000 _SL_NSYM= 4.000000000000000 _SL_System_BitSw= 0.000000000000000 _SL_Unique_atoms= 0.000000000000000 _SL_GRAD= 0.000000000000000 _SL_MAXUPD_Hess= 5.000000000000000 _SL_N_PRINT_COD= 5.000000000000000 _SL_PRINT_CODES= 0.000000000000000 _SL_BasType= 0.000000000000000 _SL_Energy_Pred= 0.000000000000000 _SL_New_Coords= 0.000000000000000 _SL_Total_Nuclea= 0.000000000000000 _SL_Highest_Mltp= 0.000000000000000 _SL_Ref_Geom= 0.000000000000000 _SL_Symmetry_ope= 1.000000000000000 _SL_agrad= 0.000000000000000 _SL_GrdMax= 0.000000000000000 _SL_GrdNorm= 0.000000000000000 _SL_GrdRMS= 0.000000000000000 _SL_Hss_Q= 0.000000000000000 _SL_Hss_X= 0.000000000000000 _SL_BMxOld= 0.000000000000000 _SL_KtB= 0.000000000000000 !LATTICE= -1.000000000000000 !NEWLATTICE= 0.000000000000000 !LATGRAD_VAR=FALSE !SEW_LATTICE= 1.000000000000000 !LOCAL= 0.000000000000000 !SAVEDOM= -1.000000000000000 !RESTDOM= -1.000000000000000 !SAVEDOM_HF= -1.000000000000000 !RESTDOM_HF= -1.000000000000000 !HESSREC= 0.000000000000000 !FREQREC= 0.000000000000000 !NMODREC= 0.000000000000000 !GTASKS= 0.000000000000000 !HTASKS= 0.000000000000000 !THRCHG= 0.1000000000000000 !DEBUG= -1.000000000000000 !CFIT_CPHF= 0.000000000000000 !RDOMAUX_CPHF= 3.000000000000000 !THRAO_CPHF= 0.1000000000000000E-09 !THRMO_CPHF= 0.1000000000000000E-08 !THROV_CPHF= 0.1000000000000000E-11 !THRSW_CPHF= 0.1000000000000000E-09 !THRPROD_CPHF= 0.1000000000000000E-08 !THRAOPR_CPHF= 0.1000000000000000E-11 !CFIT_SCFGRD= 0.000000000000000 !RDOMAUX_SCFGRD= 5.000000000000000 !THRAO_SCFGRD= 0.1000000000000000E-09 !THRMO_SCFGRD= 0.1000000000000000E-08 !THROV_SCFGRD= 0.1000000000000000E-11 !THRSW_SCFGRD= 0.1000000000000000E-09 !THRPROD_SCFGRD= 0.1000000000000000E-08 !THRAOPR_SCFGRD= 0.1000000000000000E-11 !LOCFIT_SCF= 0.000000000000000 !LOCFIT_MP2= -1.000000000000000 _RIDOM= 0.000000000000000 !CC2_METHOD= 0.000000000000000 _BASIS2006=FALSE _SVDDEL= -1.000000000000000 _SVDDELA= -1.000000000000000 _SVDDELP= -1.000000000000000 _SVDDELF= -1.000000000000000 _SVDDELS= -1.000000000000000 _SVDDEL_ABS= -1.000000000000000 _SVDDELA_ABS= -1.000000000000000 _SVDDELP_ABS= -1.000000000000000 _SVDDELF_ABS= -1.000000000000000 _SVDDELS_ABS= -1.000000000000000 _MAXBASIS= 0.000000000000000 !OPT_CONICAL= 0.000000000000000 !CLEARSP_JGRID= 0.000000000000000 _4EXT_NDISKS= 1.000000000000000 !ZMP= 0.000000000000000 _MAXIT_ZMP= 500.0000000000000 _MAXDIS_ZMP= 100.0000000000000 _ACCU_ZMP= 14.00000000000000 _SHIFTA_ZMP= -100.0000000000000 !EMBEDFLAG= 1.000000000000000 !EMBED=FALSE !EMBED_F12=FALSE !EMBEDNUC= 0.000000000000000 _EMBEDENERGY= 0.000000000000000 _KSPACETIME= 0.000000000000000 _RSPACETIME= 0.000000000000000 !EMBED_DFC=FALSE !NUM_VOIDS= 0.000000000000000 _IBODY= 0.000000000000000 _EMBE_TOTAL= 0.000000000000000 _EMBE_HF= 0.000000000000000 _EMBE_CORR= 0.000000000000000 !EDFT= 0.000000000000000 _IFASTLATGRAD= 0.000000000000000 _SINDEX= 0.000000000000000 RNN= 1.128200000000000 RNO= 1.184200000000000 GX1= 0.000000000000000 GY1= 0.9962296772895782E-16 GZ1= -2.266984878175939 GX2= 0.000000000000000 GY2= 0.9962296772895782E-16 GZ2=-0.1349958567061949 GX3= 0.000000000000000 GY3=-0.1744301688924827E-15 GZ3= 2.102817828123153 [Atoms] Angs N 1 7 0.0000000000 0.0000000000 -1.1996367307 N 2 7 0.0000000000 0.0000000000 -0.0714367307 O 3 8 0.0000000000 0.0000000000 1.1127632693 [GTO] 1 0 s 10 1.00 0.1142000000D+05 0.5229996559D-03 0.1712000000D+04 0.4044997339D-02 0.3893000000D+03 0.2077498633D-01 0.1100000000D+03 0.8072694689D-01 0.3557000000D+02 0.2330738467D+00 0.1254000000D+02 0.4335007148D+00 0.4644000000D+01 0.3474717714D+00 0.1293000000D+01 0.4126197285D-01 0.5118000000D+00 -0.8507994403D-02 0.1787000000D+00 0.2383998432D-02 s 10 1.00 0.1142000000D+05 -0.1149999544D-03 0.1712000000D+04 -0.8949996452D-03 0.3893000000D+03 -0.4623998167D-02 0.1100000000D+03 -0.1852799265D-01 0.3557000000D+02 -0.5733897727D-01 0.1254000000D+02 -0.1320759476D+00 0.4644000000D+01 -0.1725099316D+00 0.1293000000D+01 0.1518139398D+00 0.5118000000D+00 0.5999437621D+00 0.1787000000D+00 0.3874618464D+00 s 10 1.00 0.1142000000D+05 0.0000000000D+00 0.1712000000D+04 0.0000000000D+00 0.3893000000D+03 0.0000000000D+00 0.1100000000D+03 0.0000000000D+00 0.3557000000D+02 0.0000000000D+00 0.1254000000D+02 0.0000000000D+00 0.4644000000D+01 0.0000000000D+00 0.1293000000D+01 0.1000000000D+01 0.5118000000D+00 0.0000000000D+00 0.1787000000D+00 0.0000000000D+00 s 10 1.00 0.1142000000D+05 0.0000000000D+00 0.1712000000D+04 0.0000000000D+00 0.3893000000D+03 0.0000000000D+00 0.1100000000D+03 0.0000000000D+00 0.3557000000D+02 0.0000000000D+00 0.1254000000D+02 0.0000000000D+00 0.4644000000D+01 0.0000000000D+00 0.1293000000D+01 0.0000000000D+00 0.5118000000D+00 0.0000000000D+00 0.1787000000D+00 0.1000000000D+01 s 1 1.00 0.5760000000D-01 0.1000000000D+01 p 5 1.00 0.2663000000D+02 0.1467000345D-01 0.5948000000D+01 0.9176402155D-01 0.1742000000D+01 0.2986830701D+00 0.5550000000D+00 0.4984871171D+00 0.1725000000D+00 0.3370230791D+00 p 5 1.00 0.2663000000D+02 0.0000000000D+00 0.5948000000D+01 0.0000000000D+00 0.1742000000D+01 0.0000000000D+00 0.5550000000D+00 0.1000000000D+01 0.1725000000D+00 0.0000000000D+00 p 5 1.00 0.2663000000D+02 0.0000000000D+00 0.5948000000D+01 0.0000000000D+00 0.1742000000D+01 0.0000000000D+00 0.5550000000D+00 0.0000000000D+00 0.1725000000D+00 0.1000000000D+01 p 1 1.00 0.4910000000D-01 0.1000000000D+01 d 1 1.00 0.1654000000D+01 0.1000000000D+01 d 1 1.00 0.4690000000D+00 0.1000000000D+01 d 1 1.00 0.1510000000D+00 0.1000000000D+01 f 1 1.00 0.1093000000D+01 0.1000000000D+01 f 1 1.00 0.3640000000D+00 0.1000000000D+01 2 0 s 10 1.00 0.1142000000D+05 0.5229996559D-03 0.1712000000D+04 0.4044997339D-02 0.3893000000D+03 0.2077498633D-01 0.1100000000D+03 0.8072694689D-01 0.3557000000D+02 0.2330738467D+00 0.1254000000D+02 0.4335007148D+00 0.4644000000D+01 0.3474717714D+00 0.1293000000D+01 0.4126197285D-01 0.5118000000D+00 -0.8507994403D-02 0.1787000000D+00 0.2383998432D-02 s 10 1.00 0.1142000000D+05 -0.1149999544D-03 0.1712000000D+04 -0.8949996452D-03 0.3893000000D+03 -0.4623998167D-02 0.1100000000D+03 -0.1852799265D-01 0.3557000000D+02 -0.5733897727D-01 0.1254000000D+02 -0.1320759476D+00 0.4644000000D+01 -0.1725099316D+00 0.1293000000D+01 0.1518139398D+00 0.5118000000D+00 0.5999437621D+00 0.1787000000D+00 0.3874618464D+00 s 10 1.00 0.1142000000D+05 0.0000000000D+00 0.1712000000D+04 0.0000000000D+00 0.3893000000D+03 0.0000000000D+00 0.1100000000D+03 0.0000000000D+00 0.3557000000D+02 0.0000000000D+00 0.1254000000D+02 0.0000000000D+00 0.4644000000D+01 0.0000000000D+00 0.1293000000D+01 0.1000000000D+01 0.5118000000D+00 0.0000000000D+00 0.1787000000D+00 0.0000000000D+00 s 10 1.00 0.1142000000D+05 0.0000000000D+00 0.1712000000D+04 0.0000000000D+00 0.3893000000D+03 0.0000000000D+00 0.1100000000D+03 0.0000000000D+00 0.3557000000D+02 0.0000000000D+00 0.1254000000D+02 0.0000000000D+00 0.4644000000D+01 0.0000000000D+00 0.1293000000D+01 0.0000000000D+00 0.5118000000D+00 0.0000000000D+00 0.1787000000D+00 0.1000000000D+01 s 1 1.00 0.5760000000D-01 0.1000000000D+01 p 5 1.00 0.2663000000D+02 0.1467000345D-01 0.5948000000D+01 0.9176402155D-01 0.1742000000D+01 0.2986830701D+00 0.5550000000D+00 0.4984871171D+00 0.1725000000D+00 0.3370230791D+00 p 5 1.00 0.2663000000D+02 0.0000000000D+00 0.5948000000D+01 0.0000000000D+00 0.1742000000D+01 0.0000000000D+00 0.5550000000D+00 0.1000000000D+01 0.1725000000D+00 0.0000000000D+00 p 5 1.00 0.2663000000D+02 0.0000000000D+00 0.5948000000D+01 0.0000000000D+00 0.1742000000D+01 0.0000000000D+00 0.5550000000D+00 0.0000000000D+00 0.1725000000D+00 0.1000000000D+01 p 1 1.00 0.4910000000D-01 0.1000000000D+01 d 1 1.00 0.1654000000D+01 0.1000000000D+01 d 1 1.00 0.4690000000D+00 0.1000000000D+01 d 1 1.00 0.1510000000D+00 0.1000000000D+01 f 1 1.00 0.1093000000D+01 0.1000000000D+01 f 1 1.00 0.3640000000D+00 0.1000000000D+01 3 0 s 10 1.00 0.1533000000D+05 0.5079996682D-03 0.2299000000D+04 0.3928997434D-02 0.5224000000D+03 0.2024298678D-01 0.1473000000D+03 0.7918094828D-01 0.4755000000D+02 0.2306868493D+00 0.1676000000D+02 0.4331177171D+00 0.6207000000D+01 0.3502597712D+00 0.1752000000D+01 0.4272797209D-01 0.6882000000D+00 -0.8153994674D-02 0.2384000000D+00 0.2380998445D-02 s 10 1.00 0.1533000000D+05 -0.1150000604D-03 0.2299000000D+04 -0.8950004697D-03 0.5224000000D+03 -0.4636002433D-02 0.1473000000D+03 -0.1872400983D-01 0.4755000000D+02 -0.5846303068D-01 0.1676000000D+02 -0.1364630716D+00 0.6207000000D+01 -0.1757400922D+00 0.1752000000D+01 0.1609340845D+00 0.6882000000D+00 0.6034183167D+00 0.2384000000D+00 0.3787651988D+00 s 10 1.00 0.1533000000D+05 0.0000000000D+00 0.2299000000D+04 0.0000000000D+00 0.5224000000D+03 0.0000000000D+00 0.1473000000D+03 0.0000000000D+00 0.4755000000D+02 0.0000000000D+00 0.1676000000D+02 0.0000000000D+00 0.6207000000D+01 0.0000000000D+00 0.1752000000D+01 0.1000000000D+01 0.6882000000D+00 0.0000000000D+00 0.2384000000D+00 0.0000000000D+00 s 10 1.00 0.1533000000D+05 0.0000000000D+00 0.2299000000D+04 0.0000000000D+00 0.5224000000D+03 0.0000000000D+00 0.1473000000D+03 0.0000000000D+00 0.4755000000D+02 0.0000000000D+00 0.1676000000D+02 0.0000000000D+00 0.6207000000D+01 0.0000000000D+00 0.1752000000D+01 0.0000000000D+00 0.6882000000D+00 0.0000000000D+00 0.2384000000D+00 0.1000000000D+01 s 1 1.00 0.7376000000D-01 0.1000000000D+01 p 5 1.00 0.3446000000D+02 0.1592799074D-01 0.7749000000D+01 0.9973994203D-01 0.2280000000D+01 0.3104918195D+00 0.7156000000D+00 0.4910257146D+00 0.2140000000D+00 0.3363368045D+00 p 5 1.00 0.3446000000D+02 0.0000000000D+00 0.7749000000D+01 0.0000000000D+00 0.2280000000D+01 0.0000000000D+00 0.7156000000D+00 0.1000000000D+01 0.2140000000D+00 0.0000000000D+00 p 5 1.00 0.3446000000D+02 0.0000000000D+00 0.7749000000D+01 0.0000000000D+00 0.2280000000D+01 0.0000000000D+00 0.7156000000D+00 0.0000000000D+00 0.2140000000D+00 0.1000000000D+01 p 1 1.00 0.5974000000D-01 0.1000000000D+01 d 1 1.00 0.2314000000D+01 0.1000000000D+01 d 1 1.00 0.6450000000D+00 0.1000000000D+01 d 1 1.00 0.2140000000D+00 0.1000000000D+01 f 1 1.00 0.1428000000D+01 0.1000000000D+01 f 1 1.00 0.5000000000D+00 0.1000000000D+01 [MO] Sym= 1.1 Ene= -20.6585 Spin= Alpha Occup= 2.000000 1 0.000005500960196 2 -0.000026779361929 3 -0.000242527260993 4 -0.005555049475965 5 -0.001945531864602 6 0.0 7 0.0 8 -0.000206779510064 9 0.0 10 0.0 11 0.000468253549355 12 0.0 13 0.0 14 -0.001249395169195 15 0.0 16 0.0 17 -0.000332022779705 18 -0.000002407854740 19 -0.000002407854741 20 0.000004815709481 21 0.0 22 0.0 23 0.0 24 -0.000357864244050 25 -0.000357864244048 26 0.000715728488097 27 0.0 28 0.0 29 0.0 30 -0.000117905702148 31 -0.000117905702147 32 0.000235811404294 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000054973306589 39 0.0 40 0.0 41 -0.000036877215145 42 0.0 43 0.0 44 -0.000036877215144 45 0.0 46 0.0 47 0.0 48 0.000389207763738 49 0.0 50 0.0 51 -0.000261088505128 52 0.0 53 0.0 54 -0.000261088505126 55 0.0 56 0.000650725535889 57 0.002069104064307 58 -0.000706642429392 59 0.005605414429853 60 0.003501773427411 61 0.0 62 0.0 63 0.000053861873226 64 0.0 65 0.0 66 0.004238258186614 67 0.0 68 0.0 69 -0.004328034623890 70 0.0 71 0.0 72 -0.000104399987742 73 -0.000132834645483 74 -0.000132834645482 75 0.000265669290965 76 0.0 77 0.0 78 0.0 79 -0.000921720740362 80 -0.000921720740363 81 0.001843441480725 82 0.0 83 0.0 84 0.0 85 -0.000463595786582 86 -0.000463595786582 87 0.000927191573164 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000218792967614 94 0.0 95 0.0 96 -0.000146770784575 97 0.0 98 0.0 99 -0.000146770784575 100 0.0 101 0.0 102 0.0 103 0.000119403564832 104 0.0 105 0.0 106 -0.000080098346318 107 0.0 108 0.0 109 -0.000080098346315 110 0.0 111 0.99838898092135 112 -0.004123028164661 113 0.001707234280981 114 0.000703317705383 115 -0.001844415219728 116 0.0 117 0.0 118 -0.007065173650564 119 0.0 120 0.0 121 0.007121232715382 122 0.0 123 0.0 124 0.003126242290059 125 0.0 126 0.0 127 0.000264509198941 128 -0.000068903498359 129 -0.000068903498359 130 0.000137806996719 131 0.0 132 0.0 133 0.0 134 0.000886530601414 135 0.000886530601413 136 -0.001773061202827 137 0.0 138 0.0 139 0.0 140 0.000173264765501 141 0.000173264765500 142 -0.000346529531001 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000137616192692 149 0.0 150 0.0 151 -0.000092315748499 152 0.0 153 0.0 154 -0.000092315748499 155 0.0 156 0.0 157 0.0 158 0.000491309354671 159 0.0 160 0.0 161 -0.000329580334508 162 0.0 163 0.0 164 -0.000329580334508 165 0.0 Sym= 2.1 Ene= -15.8462 Spin= Alpha Occup= 2.000000 1 0.009005942680712 2 -0.000119973726375 3 0.000476736432527 4 -0.013558603330104 5 -0.006296852256599 6 0.0 7 0.0 8 0.001166130994006 9 0.0 10 0.0 11 -0.002129060220646 12 0.0 13 0.0 14 -0.006837427481472 15 0.0 16 0.0 17 -0.001160189285428 18 0.000094026176093 19 0.000094026176094 20 -0.000188052352187 21 0.0 22 0.0 23 0.0 24 0.000699920367206 25 0.000699920367206 26 -0.001399840734412 27 0.0 28 0.0 29 0.0 30 0.000527520874406 31 0.000527520874405 32 -0.001055041748811 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000363902863902 39 0.0 40 0.0 41 0.000244113462268 42 0.0 43 0.0 44 0.000244113462268 45 0.0 46 0.0 47 0.0 48 -0.000425747583909 49 0.0 50 0.0 51 0.000285600161663 52 0.0 53 0.0 54 0.000285600161663 55 0.0 56 0.99952618336498 57 0.000510286497996 58 0.001275031565475 59 0.009865254408073 60 0.006532007132729 61 0.0 62 0.0 63 0.001928820135946 64 0.0 65 0.0 66 -0.004633510344172 67 0.0 68 0.0 69 -0.007868757539761 70 0.0 71 0.0 72 -0.001207283210646 73 -0.000494011377606 74 -0.000494011377606 75 0.000988022755212 76 0.0 77 0.0 78 0.0 79 0.000289959036191 80 0.000289959036191 81 -0.000579918072382 82 0.0 83 0.0 84 0.0 85 -0.000687073029657 86 -0.000687073029655 87 0.001374146059312 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000384449431970 94 0.0 95 0.0 96 0.000257896519139 97 0.0 98 0.0 99 0.000257896519139 100 0.0 101 0.0 102 0.0 103 -0.000151895927498 104 0.0 105 0.0 106 0.000101894885817 107 0.0 108 0.0 109 0.000101894885818 110 0.0 111 0.000220872094170 112 0.001566887427191 113 -0.000242692267779 114 0.002123712590298 115 -0.000052378194547 116 0.0 117 0.0 118 -0.000506070339171 119 0.0 120 0.0 121 -0.001081498020059 122 0.0 123 0.0 124 -0.001520931403055 125 0.0 126 0.0 127 0.000133284422800 128 -0.000053718125972 129 -0.000053718125972 130 0.000107436251944 131 0.0 132 0.0 133 0.0 134 -0.000161759802861 135 -0.000161759802860 136 0.000323519605721 137 0.0 138 0.0 139 0.0 140 -0.000180732941447 141 -0.000180732941449 142 0.000361465882896 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000075980860096 149 0.0 150 0.0 151 -0.000050969510449 152 0.0 153 0.0 154 -0.000050969510449 155 0.0 156 0.0 157 0.0 158 0.000140821236248 159 0.0 160 0.0 161 -0.000094465757078 162 0.0 163 0.0 164 -0.000094465757078 165 0.0 Sym= 3.1 Ene= -15.6997 Spin= Alpha Occup= 2.000000 1 0.99977744308079 2 0.000556491558227 3 0.001044754300257 4 0.011381554447486 5 -0.001708093023617 6 0.0 7 0.0 8 0.008282442840944 9 0.0 10 0.0 11 -0.005065773484000 12 0.0 13 0.0 14 0.001761832912376 15 0.0 16 0.0 17 -0.000244141344696 18 -0.000371767883001 19 -0.000371767883001 20 0.000743535766003 21 0.0 22 0.0 23 0.0 24 0.000397623257773 25 0.000397623257773 26 -0.000795246515546 27 0.0 28 0.0 29 0.0 30 -0.000235250870278 31 -0.000235250870279 32 0.000470501740557 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000150334032758 39 0.0 40 0.0 41 -0.000100847134974 42 0.0 43 0.0 44 -0.000100847134974 45 0.0 46 0.0 47 0.0 48 -0.000463930807924 49 0.0 50 0.0 51 0.000311214247012 52 0.0 53 0.0 54 0.000311214247012 55 0.0 56 -0.008854991775457 57 0.002474080773848 58 0.000178685763501 59 -0.011420145270346 60 0.002432371745204 61 0.0 62 0.0 63 -0.001450745448729 64 0.0 65 0.0 66 0.000185747467024 67 0.0 68 0.0 69 0.010300961776136 70 0.0 71 0.0 72 -0.000479665424662 73 -0.000002386504113 74 -0.000002386504113 75 0.000004773008226 76 0.0 77 0.0 78 0.0 79 0.000337676764380 80 0.000337676764380 81 -0.000675353528760 82 0.0 83 0.0 84 0.0 85 -0.000180183775706 86 -0.000180183775706 87 0.000360367551412 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000520104532893 94 0.0 95 0.0 96 -0.000348896727286 97 0.0 98 0.0 99 -0.000348896727286 100 0.0 101 0.0 102 0.0 103 0.001256992696259 104 0.0 105 0.0 106 -0.000843216334817 107 0.0 108 0.0 109 -0.000843216334817 110 0.0 111 -0.000508470187606 112 -0.001640440408639 113 0.000265224171389 114 -0.002391810377541 115 -0.000707510148144 116 0.0 117 0.0 118 0.000057549654157 119 0.0 120 0.0 121 0.000455052166758 122 0.0 123 0.0 124 -0.000868545577711 125 0.0 126 0.0 127 0.000194278280065 128 0.000043975532647 129 0.000043975532647 130 -0.000087951065294 131 0.0 132 0.0 133 0.0 134 -0.000010901747852 135 -0.000010901747852 136 0.000021803495704 137 0.0 138 0.0 139 0.0 140 -0.000483369444108 141 -0.000483369444107 142 0.000966738888216 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000097462794265 149 0.0 150 0.0 151 -0.000065380029976 152 0.0 153 0.0 154 -0.000065380029976 155 0.0 156 0.0 157 0.0 158 -0.000077001627963 159 0.0 160 0.0 161 0.000051654262351 162 0.0 163 0.0 164 0.000051654262351 165 0.0 Sym= 4.1 Ene= -1.6145 Spin= Alpha Occup= 2.000000 1 -0.007584844935373 2 0.28297064523048 3 -0.002199165719026 4 0.002925379542082 5 0.046475234777294 6 0.0 7 0.0 8 0.15857441716799 9 0.0 10 0.0 11 -0.008245720562502 12 0.0 13 0.0 14 -0.029052376602497 15 0.0 16 0.0 17 0.003910894411959 18 -0.005424789543632 19 -0.005424789543632 20 0.010849579087265 21 0.0 22 0.0 23 0.0 24 -0.004543459967476 25 -0.004543459967476 26 0.009086919934952 27 0.0 28 0.0 29 0.0 30 0.001999579731921 31 0.001999579731921 32 -0.003999159463842 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.003453714044737 39 0.0 40 0.0 41 -0.002316821813663 42 0.0 43 0.0 44 -0.002316821813663 45 0.0 46 0.0 47 0.0 48 -0.003773130543078 49 0.0 50 0.0 51 0.002531092914691 52 0.0 53 0.0 54 0.002531092914690 55 0.0 56 -0.013588709923873 57 0.68225926532789 58 0.000963020368292 59 -0.24852183059305 60 -0.052123964831425 61 0.0 62 0.0 63 0.088095584219585 64 0.0 65 0.0 66 -0.000774073620873 67 0.0 68 0.0 69 0.009691718977730 70 0.0 71 0.0 72 0.017123099043249 73 -0.010891332455037 74 -0.010891332455037 75 0.021782664910073 76 0.0 77 0.0 78 0.0 79 -0.006068773287066 80 -0.006068773287066 81 0.012137546574132 82 0.0 83 0.0 84 0.0 85 0.011476111497757 86 0.011476111497757 87 -0.022952222995514 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.002884881469345 94 0.0 95 0.0 96 -0.001935237321745 97 0.0 98 0.0 99 -0.001935237321745 100 0.0 101 0.0 102 0.0 103 0.000878348023435 104 0.0 105 0.0 106 -0.000589213766491 107 0.0 108 0.0 109 -0.000589213766491 110 0.0 111 -0.007393706212179 112 0.57940160053549 113 -0.006747195965957 114 -0.046212398999318 115 -0.010375329573555 116 0.0 117 0.0 118 -0.18748105372294 119 0.0 120 0.0 121 -0.006630695854673 122 0.0 123 0.0 124 0.047233862536523 125 0.0 126 0.0 127 0.004674513401647 128 -0.004778350391258 129 -0.004778350391258 130 0.009556700782517 131 0.0 132 0.0 133 0.0 134 -0.009803500763067 135 -0.009803500763067 136 0.019607001526133 137 0.0 138 0.0 139 0.0 140 0.002482641919446 141 0.002482641919446 142 -0.004965283838893 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.005787424732653 149 0.0 150 0.0 151 0.003882322535063 152 0.0 153 0.0 154 0.003882322535063 155 0.0 156 0.0 157 0.0 158 -0.000655057543725 159 0.0 160 0.0 161 0.000439425959083 162 0.0 163 0.0 164 0.000439425959083 165 0.0 Sym= 5.1 Ene= -1.4241 Spin= Alpha Occup= 2.000000 1 0.014278086639720 2 -0.56997451171766 3 0.004787189224613 4 0.081996166657056 5 -0.031241116604265 6 0.0 7 0.0 8 -0.27631412107669 9 0.0 10 0.0 11 0.021249258164902 12 0.0 13 0.0 14 0.069913907571948 15 0.0 16 0.0 17 0.001082096271925 18 0.008617431057040 19 0.008617431057040 20 -0.017234862114079 21 0.0 22 0.0 23 0.0 24 0.010270273461168 25 0.010270273461168 26 -0.020540546922336 27 0.0 28 0.0 29 0.0 30 -0.002470893047718 31 -0.002470893047719 32 0.004941786095437 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.007750048812768 39 0.0 40 0.0 41 0.005198890792287 42 0.0 43 0.0 44 0.005198890792287 45 0.0 46 0.0 47 0.0 48 -0.000477475013106 49 0.0 50 0.0 51 0.000320299976058 52 0.0 53 0.0 54 0.000320299976058 55 0.0 56 0.005128457637815 57 -0.27808940229077 58 0.000015802200251 59 0.081995146558924 60 0.041162947879438 61 0.0 62 0.0 63 0.55405612641909 64 0.0 65 0.0 66 -0.059586206784178 67 0.0 68 0.0 69 -0.18486448026430 70 0.0 71 0.0 72 -0.016589453891846 73 0.002958076856170 74 0.002958076856170 75 -0.005916153712341 76 0.0 77 0.0 78 0.0 79 -0.001700929225751 80 -0.001700929225751 81 0.003401858451502 82 0.0 83 0.0 84 0.0 85 -0.005844078266313 86 -0.005844078266312 87 0.011688156532624 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.011551248627950 94 0.0 95 0.0 96 -0.007748813147130 97 0.0 98 0.0 99 -0.007748813147129 100 0.0 101 0.0 102 0.0 103 -0.003841797398813 104 0.0 105 0.0 106 0.002577156041858 107 0.0 108 0.0 109 0.002577156041858 110 0.0 111 -0.006141827650399 112 0.48621124209552 113 -0.003171227281936 114 -0.021248703574147 115 0.001865667845051 116 0.0 117 0.0 118 -0.097679030662328 119 0.0 120 0.0 121 0.000704760830960 122 0.0 123 0.0 124 0.008797545311906 125 0.0 126 0.0 127 0.004957302143739 128 -0.002280289681612 129 -0.002280289681612 130 0.004560579363224 131 0.0 132 0.0 133 0.0 134 -0.006070819816347 135 -0.006070819816347 136 0.012141639632695 137 0.0 138 0.0 139 0.0 140 -0.001207565475553 141 -0.001207565475552 142 0.002415130951105 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.003610076681914 149 0.0 150 0.0 151 0.002421713059424 152 0.0 153 0.0 154 0.002421713059424 155 0.0 156 0.0 157 0.0 158 -0.004264617788961 159 0.0 160 0.0 161 0.002860792582252 162 0.0 163 0.0 164 0.002860792582251 165 0.0 Sym= 6.1 Ene= -0.8343 Spin= Alpha Occup= 2.000000 1 -0.000311139561678 2 0.35146656633820 3 0.001523868703254 4 0.045562289799191 5 -0.007677801782464 6 0.0 7 0.0 8 -0.10432434712003 9 0.0 10 0.0 11 -0.004531590396292 12 0.0 13 0.0 14 0.015967874680783 15 0.0 16 0.0 17 -0.007171652978067 18 0.000959796935158 19 0.000959796935158 20 -0.001919593870316 21 0.0 22 0.0 23 0.0 24 0.003492942001721 25 0.003492942001721 26 -0.006985884003441 27 0.0 28 0.0 29 0.0 30 -0.000080234388790 31 -0.000080234388790 32 0.000160468777580 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000050050445238 39 0.0 40 0.0 41 0.000033574859357 42 0.0 43 0.0 44 0.000033574859357 45 0.0 46 0.0 47 0.0 48 -0.000243065939117 49 0.0 50 0.0 51 0.000163053588864 52 0.0 53 0.0 54 0.000163053588864 55 0.0 56 -0.003933515218557 57 -0.45891257334560 58 -0.003189286767168 59 -0.004756002685053 60 0.005252976350546 61 0.0 62 0.0 63 -0.31990481422203 64 0.0 65 0.0 66 -0.001813698742448 67 0.0 68 0.0 69 0.089669428078315 70 0.0 71 0.0 72 0.003002758505799 73 0.002233278964986 74 0.002233278964986 75 -0.004466557929971 76 0.0 77 0.0 78 0.0 79 -0.000794834070132 80 -0.000794834070132 81 0.001589668140264 82 0.0 83 0.0 84 0.0 85 0.005794450031776 86 0.005794450031777 87 -0.011588900063553 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.008021439605260 94 0.0 95 0.0 96 0.005380945270431 97 0.0 98 0.0 99 0.005380945270431 100 0.0 101 0.0 102 0.0 103 0.006122989911223 104 0.0 105 0.0 106 -0.004107426500112 107 0.0 108 0.0 109 -0.004107426500112 110 0.0 111 0.004323288172136 112 0.56260961054847 113 0.003302873812963 114 0.13907067392640 115 0.030284438854617 116 0.0 117 0.0 118 0.57302176466553 119 0.0 120 0.0 121 -0.016930682816148 122 0.0 123 0.0 124 -0.070918930860660 125 0.0 126 0.0 127 0.000687786394827 128 0.006564109532134 129 0.006564109532134 130 -0.013128219064267 131 0.0 132 0.0 133 0.0 134 0.011320303398572 135 0.011320303398572 136 -0.022640606797143 137 0.0 138 0.0 139 0.0 140 0.003373989434490 141 0.003373989434490 142 -0.006747978868981 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.005786435440261 149 0.0 150 0.0 151 -0.003881658897551 152 0.0 153 0.0 154 -0.003881658897551 155 0.0 156 0.0 157 0.0 158 0.002583399594332 159 0.0 160 0.0 161 -0.001732997131792 162 0.0 163 0.0 164 -0.001732997131792 165 0.0 Sym= 1.3 Ene= -0.7633 Spin= Alpha Occup= 2.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.37691494521662 8 0.0 9 0.0 10 -0.006369496069357 11 0.0 12 0.0 13 -0.075727143725821 14 0.0 15 0.0 16 -0.004896804889845 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.014480561886414 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.022786621185250 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.005778538529767 36 0.0 37 -0.002686699510133 38 0.0 39 0.0 40 -0.001201528547905 41 0.0 42 0.0 43 0.004806114191768 44 0.0 45 0.0 46 0.0 47 -0.000043065817019 48 0.0 49 0.0 50 -0.000019259618859 51 0.0 52 0.0 53 0.000077038475476 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.65325208827601 63 0.0 64 0.0 65 -0.002961969508374 66 0.0 67 0.0 68 -0.088320932454316 69 0.0 70 0.0 71 0.001531974974082 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.000459723368804 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.005239306070066 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -0.044335281911867 91 0.0 92 -0.009052908486546 93 0.0 94 0.0 95 -0.004048583754189 96 0.0 97 0.0 98 0.016194335016190 99 0.0 100 0.0 101 0.0 102 -0.001217830846319 103 0.0 104 0.0 105 -0.000544630510894 106 0.0 107 0.0 108 0.002178522045374 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.50095127176914 118 0.0 119 0.0 120 -0.001486170195005 121 0.0 122 0.0 123 0.011372697831896 124 0.0 125 0.0 126 0.010727724401613 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.009591246112240 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.023757506620389 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.022071732359930 146 0.0 147 -0.002989878834169 148 0.0 149 0.0 150 -0.001337114463324 151 0.0 152 0.0 153 0.005348457853937 154 0.0 155 0.0 156 0.0 157 -0.002166105998464 158 0.0 159 0.0 160 -0.000968712052066 161 0.0 162 0.0 163 0.003874848207487 164 0.0 165 0.0 Sym= 1.2 Ene= -0.7633 Spin= Alpha Occup= 2.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.37691494521662 7 0.0 8 0.0 9 -0.006369496069394 10 0.0 11 0.0 12 -0.075727143726165 13 0.0 14 0.0 15 -0.004896804889883 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.014480561886417 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.022786621185190 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.005778538529901 35 0.0 36 -0.002686699510132 37 0.0 38 0.0 39 -0.001201528547904 40 0.0 41 0.0 42 0.004806114191767 43 0.0 44 0.0 45 0.0 46 -0.000043065817004 47 0.0 48 0.0 49 -0.000019259618852 50 0.0 51 0.0 52 0.000077038475448 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.65325208827601 62 0.0 63 0.0 64 -0.002961969508369 65 0.0 66 0.0 67 -0.088320932454045 68 0.0 69 0.0 70 0.001531974974097 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000459723368803 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.005239306070128 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.044335281912090 90 0.0 91 -0.009052908486546 92 0.0 93 0.0 94 -0.004048583754189 95 0.0 96 0.0 97 0.016194335016190 98 0.0 99 0.0 100 0.0 101 -0.001217830846345 102 0.0 103 0.0 104 -0.000544630510906 105 0.0 106 0.0 107 0.002178522045420 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.50095127176914 117 0.0 118 0.0 119 -0.001486170195019 120 0.0 121 0.0 122 0.011372697831985 123 0.0 124 0.0 125 0.010727724401646 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.009591246112239 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.023757506620392 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.022071732359957 145 0.0 146 -0.002989878834168 147 0.0 148 0.0 149 -0.001337114463324 150 0.0 151 0.0 152 0.005348457853936 153 0.0 154 0.0 155 0.0 156 -0.002166105998469 157 0.0 158 0.0 159 -0.000968712052068 160 0.0 161 0.0 162 0.003874848207497 163 0.0 164 0.0 165 0.0 Sym= 7.1 Ene= -0.6990 Spin= Alpha Occup= 2.000000 1 -0.007510078312000 2 -0.59077434080992 3 -0.000530495487617 4 -0.27397687837525 5 -0.007888238441769 6 0.0 7 0.0 8 0.66424321227497 9 0.0 10 0.0 11 -0.051097550983315 12 0.0 13 0.0 14 -0.15571959044724 15 0.0 16 0.0 17 0.001329548931486 18 -0.008194955679611 19 -0.008194955679611 20 0.016389911359222 21 0.0 22 0.0 23 0.0 24 -0.006209970238200 25 -0.006209970238201 26 0.012419940476401 27 0.0 28 0.0 29 0.0 30 0.004813888871467 31 0.004813888871466 32 -0.009627777742933 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.004199452888537 39 0.0 40 0.0 41 -0.002817078638123 42 0.0 43 0.0 44 -0.002817078638123 45 0.0 46 0.0 47 0.0 48 -0.000403323679565 49 0.0 50 0.0 51 0.000270557749333 52 0.0 53 0.0 54 0.000270557749332 55 0.0 56 0.002493792222058 57 0.18988927852110 58 0.001955383175661 59 0.10547090346002 60 -0.035334643306619 61 0.0 62 0.0 63 -0.41992482522702 64 0.0 65 0.0 66 0.009361967267028 67 0.0 68 0.0 69 0.020178452961170 70 0.0 71 0.0 72 0.017000914282392 73 -0.001548200085573 74 -0.001548200085573 75 0.003096400171146 76 0.0 77 0.0 78 0.0 79 0.001350770117894 80 0.001350770117895 81 -0.002701540235789 82 0.0 83 0.0 84 0.0 85 -0.000958196144576 86 -0.000958196144574 87 0.001916392289150 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.010587422559160 94 0.0 95 0.0 96 0.007102258964639 97 0.0 98 0.0 99 0.007102258964639 100 0.0 101 0.0 102 0.0 103 0.004535048983316 104 0.0 105 0.0 106 -0.003042203342395 107 0.0 108 0.0 109 -0.003042203342396 110 0.0 111 0.002180937153731 112 0.12167008595823 113 0.000739311398547 114 0.069611230880060 115 0.032351784792105 116 0.0 117 0.0 118 0.27289159217246 119 0.0 120 0.0 121 -0.011582334346969 122 0.0 123 0.0 124 -0.029372755310627 125 0.0 126 0.0 127 -0.008974638996951 128 0.002917185192107 129 0.002917185192107 130 -0.005834370384215 131 0.0 132 0.0 133 0.0 134 0.003945795344116 135 0.003945795344116 136 -0.007891590688232 137 0.0 138 0.0 139 0.0 140 0.002719192024663 141 0.002719192024662 142 -0.005438384049325 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.002665855209878 149 0.0 150 0.0 151 -0.001788310040238 152 0.0 153 0.0 154 -0.001788310040238 155 0.0 156 0.0 157 0.0 158 0.001587548106236 159 0.0 160 0.0 161 -0.001064959644928 162 0.0 163 0.0 164 -0.001064959644928 165 0.0 Sym= 2.2 Ene= -0.4918 Spin= Alpha Occup= 2.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.55931976340267 7 0.0 8 0.0 9 0.001071014755996 10 0.0 11 0.0 12 -0.034377602443841 13 0.0 14 0.0 15 -0.021419989005533 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.013360220649020 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.029415773405838 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.020820777809536 35 0.0 36 0.003946983927077 37 0.0 38 0.0 39 0.001765144873427 40 0.0 41 0.0 42 -0.007060579493653 43 0.0 44 0.0 45 0.0 46 0.000676734186181 47 0.0 48 0.0 49 0.000302644728311 50 0.0 51 0.0 52 -0.001210578914110 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.22586970357729 62 0.0 63 0.0 64 0.000510978475417 65 0.0 66 0.0 67 0.027734789593690 68 0.0 69 0.0 70 -0.002673985443010 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.026731301887171 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.058850413270399 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.006998462129553 90 0.0 91 0.000845178424002 92 0.0 93 0.0 94 0.000377975281508 95 0.0 96 0.0 97 -0.001511901127019 98 0.0 99 0.0 100 0.0 101 -0.005882243681155 102 0.0 103 0.0 104 -0.002630619344812 105 0.0 106 0.0 107 0.010522477383581 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.71913701045180 117 0.0 118 0.0 119 -0.000173280201646 120 0.0 121 0.0 122 0.046038276699607 123 0.0 124 0.0 125 0.039135749728507 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.005367591020396 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.014369725780322 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.012566528800957 145 0.0 146 -0.002831647787181 147 0.0 148 0.0 149 -0.001266351388085 150 0.0 151 0.0 152 0.005065405552369 153 0.0 154 0.0 155 0.0 156 -0.001651125627446 157 0.0 158 0.0 159 -0.000738405829252 160 0.0 161 0.0 162 0.002953623314669 163 0.0 164 0.0 165 0.0 Sym= 2.3 Ene= -0.4918 Spin= Alpha Occup= 2.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.55931976340267 8 0.0 9 0.0 10 0.001071014755968 11 0.0 12 0.0 13 -0.034377602443961 14 0.0 15 0.0 16 -0.021419989005536 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.013360220649018 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.029415773405867 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.020820777809586 36 0.0 37 0.003946983927078 38 0.0 39 0.0 40 0.001765144873428 41 0.0 42 0.0 43 -0.007060579493655 44 0.0 45 0.0 46 0.0 47 0.000676734186187 48 0.0 49 0.0 50 0.000302644728314 51 0.0 52 0.0 53 -0.001210578914121 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.22586970357730 63 0.0 64 0.0 65 0.000510978475438 66 0.0 67 0.0 68 0.027734789593852 69 0.0 70 0.0 71 -0.002673985443024 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.026731301887172 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.058850413270382 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -0.006998462129590 91 0.0 92 0.000845178424001 93 0.0 94 0.0 95 0.000377975281507 96 0.0 97 0.0 98 -0.001511901127017 99 0.0 100 0.0 101 0.0 102 -0.005882243681176 103 0.0 104 0.0 105 -0.002630619344821 106 0.0 107 0.0 108 0.010522477383618 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.71913701045181 118 0.0 119 0.0 120 -0.000173280201660 121 0.0 122 0.0 123 0.046038276699565 124 0.0 125 0.0 126 0.039135749728525 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.005367591020397 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.014369725780315 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.012566528800938 146 0.0 147 -0.002831647787181 148 0.0 149 0.0 150 -0.001266351388085 151 0.0 152 0.0 153 0.005065405552369 154 0.0 155 0.0 156 0.0 157 -0.001651125627445 158 0.0 159 0.0 160 -0.000738405829251 161 0.0 162 0.0 163 0.002953623314667 164 0.0 165 0.0 Sym= 8.1 Ene= 0.0670 Spin= Alpha Occup= 0.000000 1 -0.011290967970954 2 -0.19869005730171 3 0.003187727748293 4 -1.83573160186496 5 -9.11402275649251 6 0.0 7 0.0 8 0.007451920088948 9 0.0 10 0.0 11 -0.097903750363863 12 0.0 13 0.0 14 -0.74523748350329 15 0.0 16 0.0 17 -2.77813449561146 18 0.000775390596665 19 0.000775390596665 20 -0.001550781193330 21 0.0 22 0.0 23 0.0 24 0.024869688070360 25 0.024869688070359 26 -0.049739376140719 27 0.0 28 0.0 29 0.0 30 0.065786969414917 31 0.065786969414917 32 -0.13157393882983 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000703443918261 39 0.0 40 0.0 41 -0.000471884525877 42 0.0 43 0.0 44 -0.000471884525877 45 0.0 46 0.0 47 0.0 48 -0.007425022964343 49 0.0 50 0.0 51 0.004980856824830 52 0.0 53 0.0 54 0.004980856824830 55 0.0 56 -0.012021959316480 57 -0.024301211837319 58 -0.022303561304722 59 3.23496238043347 60 16.3438595897658 61 0.0 62 0.0 63 0.004437494910529 64 0.0 65 0.0 66 0.054449336979435 67 0.0 68 0.0 69 0.40032950792247 70 0.0 71 0.0 72 -0.55755788437497 73 0.005306150815332 74 0.005306150815332 75 -0.010612301630664 76 0.0 77 0.0 78 0.0 79 -0.069559412115208 80 -0.069559412115208 81 0.13911882423042 82 0.0 83 0.0 84 0.0 85 -0.39100746984516 86 -0.39100746984515 87 0.78201493969031 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.002433471337443 94 0.0 95 0.0 96 -0.001632422199546 97 0.0 98 0.0 99 -0.001632422199546 100 0.0 101 0.0 102 0.0 103 0.030138957748375 104 0.0 105 0.0 106 -0.020217827488908 107 0.0 108 0.0 109 -0.020217827488909 110 0.0 111 0.011128675378148 112 -0.085209573891572 113 0.003423263422315 114 -1.55076312416049 115 -6.55315819655162 116 0.0 117 0.0 118 0.031708293189128 119 0.0 120 0.0 121 0.077062030252570 122 0.0 123 0.0 124 0.90277577789399 125 0.0 126 0.0 127 1.88645989203804 128 -0.000383899949007 129 -0.000383899949007 130 0.000767799898013 131 0.0 132 0.0 133 0.0 134 0.027468420289732 135 0.027468420289732 136 -0.054936840579465 137 0.0 138 0.0 139 0.0 140 0.071634716115668 141 0.071634716115669 142 -0.14326943223134 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.003393043130822 149 0.0 150 0.0 151 -0.002276122527332 152 0.0 153 0.0 154 -0.002276122527332 155 0.0 156 0.0 157 0.0 158 0.014147874514021 159 0.0 160 0.0 161 -0.009490682745146 162 0.0 163 0.0 164 -0.009490682745147 165 0.0 Sym= 9.1 Ene= 0.0854 Spin= Alpha Occup= 0.000000 1 0.000125345650412 2 0.048606829658335 3 -0.012849376464142 4 4.06836997415250 5 14.8030728332400 6 0.0 7 0.0 8 -0.098919922876732 9 0.0 10 0.0 11 0.15189836656442 12 0.0 13 0.0 14 2.37921694020547 15 0.0 16 0.0 17 3.67924437576532 18 0.001001560579369 19 0.001001560579369 20 -0.002003121158737 21 0.0 22 0.0 23 0.0 24 -0.059480414645327 25 -0.059480414645327 26 0.11896082929065 27 0.0 28 0.0 29 0.0 30 -0.23858115261126 31 -0.23858115261126 32 0.47716230522251 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.009037831008375 39 0.0 40 0.0 41 -0.006062761351164 42 0.0 43 0.0 44 -0.006062761351164 45 0.0 46 0.0 47 0.0 48 0.027835252444669 49 0.0 50 0.0 51 -0.018672454991144 52 0.0 53 0.0 54 -0.018672454991144 55 0.0 56 0.003746619170935 57 -0.001636514417252 58 0.003269446465799 59 -3.03304318599345 60 -13.3654626696445 61 0.0 62 0.0 63 0.016793496401431 64 0.0 65 0.0 66 0.21973408824831 67 0.0 68 0.0 69 2.97935681296734 70 0.0 71 0.0 72 5.01738096488791 73 0.002404493756739 74 0.002404493756739 75 -0.004808987513479 76 0.0 77 0.0 78 0.0 79 0.037369829675430 80 0.037369829675431 81 -0.074739659350861 82 0.0 83 0.0 84 0.0 85 0.19337344739993 86 0.19337344739993 87 -0.38674689479986 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.010485760453917 94 0.0 95 0.0 96 -0.007034061951221 97 0.0 98 0.0 99 -0.007034061951221 100 0.0 101 0.0 102 0.0 103 0.031958427093588 104 0.0 105 0.0 106 -0.021438364630571 107 0.0 108 0.0 109 -0.021438364630570 110 0.0 111 0.008404613293009 112 -0.057187909082554 113 0.002104631315813 114 -0.69925698779422 115 -1.97797350043266 116 0.0 117 0.0 118 -0.022206003313784 119 0.0 120 0.0 121 0.005582566548446 122 0.0 123 0.0 124 0.56408874598663 125 0.0 126 0.0 127 -0.21141425709949 128 -0.000431549309343 129 -0.000431549309343 130 0.000863098618687 131 0.0 132 0.0 133 0.0 134 0.012792562231047 135 0.012792562231047 136 -0.025585124462095 137 0.0 138 0.0 139 0.0 140 0.043486468054308 141 0.043486468054308 142 -0.086972936108616 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.004235075126663 149 0.0 150 0.0 151 -0.002840974761911 152 0.0 153 0.0 154 -0.002840974761911 155 0.0 156 0.0 157 0.0 158 0.010565748049745 159 0.0 160 0.0 161 -0.007087719261710 162 0.0 163 0.0 164 -0.007087719261710 165 0.0 Sym= 3.3 Ene= 0.1058 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.17027023420416 8 0.0 9 0.0 10 -0.049114939493005 11 0.0 12 0.0 13 0.001607810233937 14 0.0 15 0.0 16 -1.20088620607666 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.007991952663842 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.025573574235756 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.087078733733880 36 0.0 37 -0.004077704260093 38 0.0 39 0.0 40 -0.001823604783268 41 0.0 42 0.0 43 0.007294419133893 44 0.0 45 0.0 46 0.0 47 0.004141898667767 48 0.0 49 0.0 50 0.001852313395157 51 0.0 52 0.0 53 -0.007409253581383 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.45716720108690 63 0.0 64 0.0 65 -0.003341978089650 66 0.0 67 0.0 68 0.53003200854276 69 0.0 70 0.0 71 0.45575481880915 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.000617305807857 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.042947156841213 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.12355336419151 91 0.0 92 -0.001799009656456 93 0.0 94 0.0 95 -0.000804541577045 96 0.0 97 0.0 98 0.003218166307454 99 0.0 100 0.0 101 0.0 102 -0.018127522673435 103 0.0 104 0.0 105 -0.008106874592382 106 0.0 107 0.0 108 0.032427498369264 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.14574275563482 118 0.0 119 0.0 120 -0.010729037591370 121 0.0 122 0.0 123 -0.25411432839523 124 0.0 125 0.0 126 -0.42389422664944 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.005559604206173 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.002365321280027 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.12680979535146 146 0.0 147 -0.002334494618212 148 0.0 149 0.0 150 -0.001044017731972 151 0.0 152 0.0 153 0.004176070927630 154 0.0 155 0.0 156 0.0 157 0.013523407881485 158 0.0 159 0.0 160 0.006047851862648 161 0.0 162 0.0 163 -0.024191407448921 164 0.0 165 0.0 Sym= 3.2 Ene= 0.1058 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.17027023420419 7 0.0 8 0.0 9 -0.049114939492930 10 0.0 11 0.0 12 0.001607810234872 13 0.0 14 0.0 15 -1.20088620607646 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.007991952663836 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.025573574235879 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.087078733733446 35 0.0 36 -0.004077704260096 37 0.0 38 0.0 39 -0.001823604783269 40 0.0 41 0.0 42 0.007294419133898 43 0.0 44 0.0 45 0.0 46 0.004141898667728 47 0.0 48 0.0 49 0.001852313395139 50 0.0 51 0.0 52 -0.007409253581312 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.45716720108692 62 0.0 63 0.0 64 -0.003341978089711 65 0.0 66 0.0 67 0.53003200854174 68 0.0 69 0.0 70 0.45575481880897 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000617305807860 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.042947156841297 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.12355336419197 90 0.0 91 -0.001799009656455 92 0.0 93 0.0 94 -0.000804541577045 95 0.0 96 0.0 97 0.003218166307452 98 0.0 99 0.0 100 0.0 101 -0.018127522673360 102 0.0 103 0.0 104 -0.008106874592348 105 0.0 106 0.0 107 0.032427498369129 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.14574275563483 117 0.0 118 0.0 119 -0.010729037591329 120 0.0 121 0.0 122 -0.25411432839520 123 0.0 124 0.0 125 -0.42389422664943 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.005559604206173 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.002365321280011 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.12680979535138 145 0.0 146 -0.002334494618212 147 0.0 148 0.0 149 -0.001044017731972 150 0.0 151 0.0 152 0.004176070927629 153 0.0 154 0.0 155 0.0 156 0.013523407881479 157 0.0 158 0.0 159 0.006047851862645 160 0.0 161 0.0 162 -0.024191407448912 163 0.0 164 0.0 165 0.0 Sym= 4.2 Ene= 0.1459 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.28724520410648 7 0.0 8 0.0 9 0.052475795484282 10 0.0 11 0.0 12 -1.14169694664226 13 0.0 14 0.0 15 -2.32743093423149 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.007227882014074 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.028626670444441 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.50570728735288 35 0.0 36 -0.000726140837483 37 0.0 38 0.0 39 -0.000324740054522 40 0.0 41 0.0 42 0.001298960218833 43 0.0 44 0.0 45 0.0 46 0.032514278665990 47 0.0 48 0.0 49 0.014540827466814 50 0.0 51 0.0 52 -0.058163309868729 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.23323282907358 62 0.0 63 0.0 64 0.006245177064819 65 0.0 66 0.0 67 0.29493683724699 68 0.0 69 0.0 70 3.29278575559555 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.006422683417330 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.11393293772938 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -1.00586041835655 90 0.0 91 0.002023576435494 92 0.0 93 0.0 94 0.000904970892676 95 0.0 96 0.0 97 -0.003619883573135 98 0.0 99 0.0 100 0.0 101 0.031787984220159 102 0.0 103 0.0 104 0.014216018717823 105 0.0 106 0.0 107 -0.056864074868202 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.27998085848463 117 0.0 118 0.0 119 -0.014652055593606 120 0.0 121 0.0 122 0.56183274737778 123 0.0 124 0.0 125 -0.45371640487217 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.001497894273407 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.032911676946467 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.27488909006638 145 0.0 146 0.001194751261174 147 0.0 148 0.0 149 0.000534309007813 150 0.0 151 0.0 152 -0.002137236029526 153 0.0 154 0.0 155 0.0 156 -0.023679607134432 157 0.0 158 0.0 159 -0.010589842247039 160 0.0 161 0.0 162 0.042359368986886 163 0.0 164 0.0 165 0.0 Sym= 4.3 Ene= 0.1459 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.28724520410653 8 0.0 9 0.0 10 0.052475795484079 11 0.0 12 0.0 13 -1.14169694664339 14 0.0 15 0.0 16 -2.32743093423086 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.007227882014083 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.028626670444645 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.50570728735340 36 0.0 37 -0.000726140837482 38 0.0 39 0.0 40 -0.000324740054521 41 0.0 42 0.0 43 0.001298960218830 44 0.0 45 0.0 46 0.0 47 0.032514278666041 48 0.0 49 0.0 50 0.014540827466836 51 0.0 52 0.0 53 -0.058163309868820 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.23323282907362 63 0.0 64 0.0 65 0.006245177065003 66 0.0 67 0.0 68 0.29493683724934 69 0.0 70 0.0 71 3.29278575559465 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.006422683417328 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.11393293772935 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -1.00586041835641 91 0.0 92 0.002023576435494 93 0.0 94 0.0 95 0.000904970892675 96 0.0 97 0.0 98 -0.003619883573135 99 0.0 100 0.0 101 0.0 102 0.031787984219927 103 0.0 104 0.0 105 0.014216018717719 106 0.0 107 0.0 108 -0.056864074867787 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.27998085848469 118 0.0 119 0.0 120 -0.014652055593663 121 0.0 122 0.0 123 0.56183274737659 124 0.0 125 0.0 126 -0.45371640487182 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.001497894273398 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.032911676946364 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.27488909006580 146 0.0 147 0.001194751261170 148 0.0 149 0.0 150 0.000534309007811 151 0.0 152 0.0 153 -0.002137236029519 154 0.0 155 0.0 156 0.0 157 -0.023679607134374 158 0.0 159 0.0 160 -0.010589842247012 161 0.0 162 0.0 163 0.042359368986782 164 0.0 165 0.0 Sym= 10.1 Ene= 0.1464 Spin= Alpha Occup= 0.000000 1 0.017775991170173 2 0.17162833963407 3 0.001959256272248 4 -0.021132776453385 5 -3.25588370252716 6 0.0 7 0.0 8 0.011731052335218 9 0.0 10 0.0 11 0.020868325483598 12 0.0 13 0.0 14 -1.00718873055954 15 0.0 16 0.0 17 -2.31759459197236 18 -0.003403531133320 19 -0.003403531133320 20 0.006807062266640 21 0.0 22 0.0 23 0.0 24 0.010177003373267 25 0.010177003373267 26 -0.020354006746533 27 0.0 28 0.0 29 0.0 30 0.23950383890776 31 0.23950383890777 32 -0.47900767781553 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.002413321721996 39 0.0 40 0.0 41 -0.001618905426588 42 0.0 43 0.0 44 -0.001618905426588 45 0.0 46 0.0 47 0.0 48 -0.023473004609253 49 0.0 50 0.0 51 0.015746170182736 52 0.0 53 0.0 54 0.015746170182737 55 0.0 56 0.041470478919590 57 0.21293967305851 58 0.003559734704914 59 2.95910978655228 60 5.56436596975441 61 0.0 62 0.0 63 -0.002496941060391 64 0.0 65 0.0 66 0.022284550084621 67 0.0 68 0.0 69 0.18201905241911 70 0.0 71 0.0 72 1.71978156412942 73 -0.002072171866983 74 -0.002072171866984 75 0.004144343733967 76 0.0 77 0.0 78 0.0 79 -0.039668412022639 80 -0.039668412022639 81 0.079336824045278 82 0.0 83 0.0 84 0.0 85 0.22820968151308 86 0.22820968151307 87 -0.45641936302615 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.001031671477042 94 0.0 95 0.0 96 -0.000692066265934 97 0.0 98 0.0 99 -0.000692066265934 100 0.0 101 0.0 102 0.0 103 -0.003347034719291 104 0.0 105 0.0 106 0.002245259146615 107 0.0 108 0.0 109 0.002245259146616 110 0.0 111 0.004848829662292 112 0.022617986534668 113 0.001698077356429 114 0.002341115295279 115 -4.05049892510272 116 0.0 117 0.0 118 -0.085192289904418 119 0.0 120 0.0 121 -0.020583459470488 122 0.0 123 0.0 124 0.66366336675402 125 0.0 126 0.0 127 1.42714639595941 128 -0.001546026858673 129 -0.001546026858673 130 0.003092053717346 131 0.0 132 0.0 133 0.0 134 -0.000746256036852 135 -0.000746256036852 136 0.001492512073705 137 0.0 138 0.0 139 0.0 140 0.14798046265182 141 0.14798046265182 142 -0.29596092530364 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.003054750706840 149 0.0 150 0.0 151 0.002049189070443 152 0.0 153 0.0 154 0.002049189070443 155 0.0 156 0.0 157 0.0 158 0.020235554052140 159 0.0 160 0.0 161 -0.013574422326887 162 0.0 163 0.0 164 -0.013574422326887 165 0.0 Sym= 5.3 Ene= 0.1737 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.52774516597966 8 0.0 9 0.0 10 0.020108267114755 11 0.0 12 0.0 13 0.90210926181554 14 0.0 15 0.0 16 1.44625901631890 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.001787709019784 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.072422891443684 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.67620733692745 36 0.0 37 0.000364817442765 38 0.0 39 0.0 40 0.000163151320408 41 0.0 42 0.0 43 -0.000652605281248 44 0.0 45 0.0 46 0.0 47 -0.043402169653829 48 0.0 49 0.0 50 -0.019410040343548 51 0.0 52 0.0 53 0.077640161373712 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.46087511570255 63 0.0 64 0.0 65 0.024047445380809 66 0.0 67 0.0 68 -0.48290421147198 69 0.0 70 0.0 71 -0.36673012093860 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.005017706856879 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.12084169026938 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 1.13101031084606 91 0.0 92 0.002765986495142 93 0.0 94 0.0 95 0.001236986765640 96 0.0 97 0.0 98 -0.004947947062430 99 0.0 100 0.0 101 0.0 102 0.007522014252832 103 0.0 104 0.0 105 0.003363947039368 106 0.0 107 0.0 108 -0.013455788157601 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.21484694143785 118 0.0 119 0.0 120 0.029689468538965 121 0.0 122 0.0 123 -0.61965409606109 124 0.0 125 0.0 126 -0.93238290639374 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.006227563327613 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.012160944942211 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.22123596256849 146 0.0 147 -0.002132554249015 148 0.0 149 0.0 150 -0.000953707253735 151 0.0 152 0.0 153 0.003814829013637 154 0.0 155 0.0 156 0.0 157 0.013726801158765 158 0.0 159 0.0 160 0.006138812101610 161 0.0 162 0.0 163 -0.024555248404382 164 0.0 165 0.0 Sym= 5.2 Ene= 0.1737 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.52774516597971 7 0.0 8 0.0 9 0.020108267114668 10 0.0 11 0.0 12 0.90210926181433 13 0.0 14 0.0 15 1.44625901631897 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.001787709019791 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.072422891443536 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.67620733692692 35 0.0 36 0.000364817442767 37 0.0 38 0.0 39 0.000163151320408 40 0.0 41 0.0 42 -0.000652605281251 43 0.0 44 0.0 45 0.0 46 -0.043402169653779 47 0.0 48 0.0 49 -0.019410040343526 50 0.0 51 0.0 52 0.077640161373623 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.46087511570262 62 0.0 63 0.0 64 0.024047445380854 65 0.0 66 0.0 67 -0.48290421147074 68 0.0 69 0.0 70 -0.36673012093896 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.005017706856883 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.12084169026927 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 1.13101031084547 90 0.0 91 0.002765986495142 92 0.0 93 0.0 94 0.001236986765640 95 0.0 96 0.0 97 -0.004947947062431 98 0.0 99 0.0 100 0.0 101 0.007522014252738 102 0.0 103 0.0 104 0.003363947039326 105 0.0 106 0.0 107 -0.013455788157433 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.21484694143792 117 0.0 118 0.0 119 0.029689468538930 120 0.0 121 0.0 122 -0.61965409606118 123 0.0 124 0.0 125 -0.93238290639320 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.006227563327615 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.012160944942188 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.22123596256853 145 0.0 146 -0.002132554249015 147 0.0 148 0.0 149 -0.000953707253735 150 0.0 151 0.0 152 0.003814829013638 153 0.0 154 0.0 155 0.0 156 0.013726801158766 157 0.0 158 0.0 159 0.006138812101610 160 0.0 161 0.0 162 -0.024555248404384 163 0.0 164 0.0 165 0.0 Sym= 11.1 Ene= 0.2243 Spin= Alpha Occup= 0.000000 1 0.000379316919874 2 0.032235131483268 3 -0.000975986150116 4 -1.98391435888148 5 6.77011289685703 6 0.0 7 0.0 8 0.004400744310311 9 0.0 10 0.0 11 -0.095180531029329 12 0.0 13 0.0 14 -1.15847129347054 15 0.0 16 0.0 17 -1.38625910874548 18 -0.000392754446637 19 -0.000392754446636 20 0.000785508893273 21 0.0 22 0.0 23 0.0 24 0.019281722476090 25 0.019281722476089 26 -0.038563444952179 27 0.0 28 0.0 29 0.0 30 0.24850011227989 31 0.24850011227989 32 -0.49700022455978 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.002402497622814 39 0.0 40 0.0 41 -0.001611644400118 42 0.0 43 0.0 44 -0.001611644400118 45 0.0 46 0.0 47 0.0 48 -0.051619702981458 49 0.0 50 0.0 51 0.034627549453467 52 0.0 53 0.0 54 0.034627549453466 55 0.0 56 -0.006757575024974 57 -0.058766227239264 58 -0.010204522474176 59 1.89542701798491 60 -6.28364807940589 61 0.0 62 0.0 63 -0.051113790906076 64 0.0 65 0.0 66 -0.094863018488392 67 0.0 68 0.0 69 -1.22691171439646 70 0.0 71 0.0 72 7.05551305031300 73 0.000436787480802 74 0.000436787480802 75 -0.000873574961604 76 0.0 77 0.0 78 0.0 79 -0.038227114129446 80 -0.038227114129445 81 0.076454228258891 82 0.0 83 0.0 84 0.0 85 -0.097247563301034 86 -0.097247563301027 87 0.19449512660206 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.002831113182934 94 0.0 95 0.0 96 -0.001899168458711 97 0.0 98 0.0 99 -0.001899168458711 100 0.0 101 0.0 102 0.0 103 -0.052306815576819 104 0.0 105 0.0 106 0.035088478594894 107 0.0 108 0.0 109 0.035088478594893 110 0.0 111 -0.009567804843490 112 -0.032197488265212 113 0.005902005663057 114 0.17874875637497 115 -0.62031577024085 116 0.0 117 0.0 118 0.008157036822823 119 0.0 120 0.0 121 0.007421208961831 122 0.0 123 0.0 124 -0.10200479585738 125 0.0 126 0.0 127 -3.45642257398535 128 -0.000072387728895 129 -0.000072387728895 130 0.000144775457790 131 0.0 132 0.0 133 0.0 134 0.021770944741847 135 0.021770944741847 136 -0.043541889483695 137 0.0 138 0.0 139 0.0 140 -0.10319142047956 141 -0.10319142047956 142 0.20638284095913 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.004767387079076 149 0.0 150 0.0 151 -0.003198060475161 152 0.0 153 0.0 154 -0.003198060475161 155 0.0 156 0.0 157 0.0 158 -0.023930421301431 159 0.0 160 0.0 161 0.016053014628063 162 0.0 163 0.0 164 0.016053014628063 165 0.0 Sym= 6.2 Ene= 0.2432 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.19372423329063 7 0.0 8 0.0 9 -0.025248436216118 10 0.0 11 0.0 12 -0.66378235292857 13 0.0 14 0.0 15 3.29825049833175 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.009597148111240 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.070555106108764 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.057421062871169 35 0.0 36 0.004624842860777 37 0.0 38 0.0 39 0.002068292604422 40 0.0 41 0.0 42 -0.008273170417593 43 0.0 44 0.0 45 0.0 46 -0.007112188141306 47 0.0 48 0.0 49 -0.003180667229760 50 0.0 51 0.0 52 0.012722668921398 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.28896975101594 62 0.0 63 0.0 64 -0.024051070004915 65 0.0 66 0.0 67 -0.17988890325078 68 0.0 69 0.0 70 -6.03333694598640 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.002333919516784 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.084342254983148 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.75611652148336 90 0.0 91 -0.002742008030216 92 0.0 93 0.0 94 -0.001226263267835 95 0.0 96 0.0 97 0.004905053078083 98 0.0 99 0.0 100 0.0 101 -0.015160169463688 102 0.0 103 0.0 104 -0.006779833897377 105 0.0 106 0.0 107 0.027119335580110 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.24189857894170 117 0.0 118 0.0 119 -0.012314903998518 120 0.0 121 0.0 122 0.28756216743680 123 0.0 124 0.0 125 3.93642452830703 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.004617445864826 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.030642557265078 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.42399735726904 145 0.0 146 0.003907965771308 147 0.0 148 0.0 149 0.001747695423060 150 0.0 151 0.0 152 -0.006990781694092 153 0.0 154 0.0 155 0.0 156 -0.027740482574267 157 0.0 158 0.0 159 -0.012405920951881 160 0.0 161 0.0 162 0.049623683810707 163 0.0 164 0.0 165 0.0 Sym= 6.3 Ene= 0.2432 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.19372423329071 8 0.0 9 0.0 10 -0.025248436215909 11 0.0 12 0.0 13 -0.66378235292600 14 0.0 15 0.0 16 3.29825049833272 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.009597148111224 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.070555106108428 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.057421062872453 36 0.0 37 0.004624842860775 38 0.0 39 0.0 40 0.002068292604421 41 0.0 42 0.0 43 -0.008273170417589 44 0.0 45 0.0 46 0.0 47 -0.007112188141423 48 0.0 49 0.0 50 -0.003180667229813 51 0.0 52 0.0 53 0.012722668921607 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.28896975101604 63 0.0 64 0.0 65 -0.024051070005118 66 0.0 67 0.0 68 -0.17988890325412 69 0.0 70 0.0 71 -6.03333694598737 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.002333919516780 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.084342254983005 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -0.75611652148237 91 0.0 92 -0.002742008030213 93 0.0 94 0.0 95 -0.001226263267834 96 0.0 97 0.0 98 0.004905053078079 99 0.0 100 0.0 101 0.0 102 -0.015160169463436 103 0.0 104 0.0 105 -0.006779833897264 106 0.0 107 0.0 108 0.027119335579660 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.24189857894172 118 0.0 119 0.0 120 -0.012314903998429 121 0.0 122 0.0 123 0.28756216743742 124 0.0 125 0.0 126 3.93642452830711 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.004617445864821 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.030642557264995 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.42399735726950 146 0.0 147 0.003907965771312 148 0.0 149 0.0 150 0.001747695423062 151 0.0 152 0.0 153 -0.006990781694099 154 0.0 155 0.0 156 0.0 157 -0.027740482574312 158 0.0 159 0.0 160 -0.012405920951901 161 0.0 162 0.0 163 0.049623683810787 164 0.0 165 0.0 Sym= 12.1 Ene= 0.2931 Spin= Alpha Occup= 0.000000 1 0.002517843811410 2 -0.25844810406761 3 -0.040327730454400 4 9.15891326575331 5 35.4950949738934 6 0.0 7 0.0 8 0.047058980489610 9 0.0 10 0.0 11 0.34734624765780 12 0.0 13 0.0 14 5.81175132341771 15 0.0 16 0.0 17 6.71081218658560 18 -0.001238601831919 19 -0.001238601831919 20 0.002477203663838 21 0.0 22 0.0 23 0.0 24 -0.16200911457311 25 -0.16200911457310 26 0.32401822914621 27 0.0 28 0.0 29 0.0 30 -0.54640256208159 31 -0.54640256208159 32 1.09280512416318 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.018386899194471 39 0.0 40 0.0 41 -0.012334306948282 42 0.0 43 0.0 44 -0.012334306948282 45 0.0 46 0.0 47 0.0 48 0.054964413158122 49 0.0 50 0.0 51 -0.036871249249484 52 0.0 53 0.0 54 -0.036871249249483 55 0.0 56 0.012419970389600 57 0.18251954921058 58 0.034465602264151 59 -10.5846077332711 60 -40.7832079988442 61 0.0 62 0.0 63 -0.059177219789721 64 0.0 65 0.0 66 0.29042718646893 67 0.0 68 0.0 69 4.95346272914927 70 0.0 71 0.0 72 8.30577745718295 73 0.003429921611713 74 0.003429921611713 75 -0.006859843223426 76 0.0 77 0.0 78 0.0 79 0.18228887736400 80 0.18228887736400 81 -0.36457775472799 82 0.0 83 0.0 84 0.0 85 0.75599085701912 86 0.75599085701912 87 -1.51198171403824 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.013424922327132 94 0.0 95 0.0 96 -0.009005711674837 97 0.0 98 0.0 99 -0.009005711674837 100 0.0 101 0.0 102 0.0 103 0.022665981779158 104 0.0 105 0.0 106 -0.015204802810491 107 0.0 108 0.0 109 -0.015204802810491 110 0.0 111 0.000117259558279 112 -0.032475399230565 113 -0.002401915296692 114 0.58266478821485 115 6.47230545271492 116 0.0 117 0.0 118 0.10428596432953 119 0.0 120 0.0 121 -0.072111715293289 122 0.0 123 0.0 124 -0.40162866891577 125 0.0 126 0.0 127 -3.11250990139185 128 0.000521026331932 129 0.000521026331932 130 -0.001042052663864 131 0.0 132 0.0 133 0.0 134 -0.017220844250603 135 -0.017220844250603 136 0.034441688501206 137 0.0 138 0.0 139 0.0 140 -0.092551200993877 141 -0.092551200993876 142 0.18510240198775 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.005607590026084 149 0.0 150 0.0 151 -0.003761685746483 152 0.0 153 0.0 154 -0.003761685746482 155 0.0 156 0.0 157 0.0 158 -0.017283656449672 159 0.0 160 0.0 161 0.011594229216366 162 0.0 163 0.0 164 0.011594229216366 165 0.0 Sym= 13.1 Ene= 0.2963 Spin= Alpha Occup= 0.000000 1 -0.015266865188570 2 0.10755475933951 3 -0.003369063136606 4 2.02916692593410 5 2.76270117244736 6 0.0 7 0.0 8 0.26418289437085 9 0.0 10 0.0 11 -0.014668597989190 12 0.0 13 0.0 14 1.81186139633710 15 0.0 16 0.0 17 0.13274554656816 18 -0.003211557834675 19 -0.003211557834675 20 0.006423115669350 21 0.0 22 0.0 23 0.0 24 -0.032860771542132 25 -0.032860771542132 26 0.065721543084264 27 0.0 28 0.0 29 0.0 30 -0.19252064021198 31 -0.19252064021198 32 0.38504128042396 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.018488749617224 39 0.0 40 0.0 41 -0.012402630288926 42 0.0 43 0.0 44 -0.012402630288926 45 0.0 46 0.0 47 0.0 48 0.017960056510498 49 0.0 50 0.0 51 -0.012047972171162 52 0.0 53 0.0 54 -0.012047972171164 55 0.0 56 -0.025911398379880 57 -0.24123987437561 58 -0.027913308073228 59 1.82309584575159 60 6.85253991243288 61 0.0 62 0.0 63 -0.17846917985229 64 0.0 65 0.0 66 0.38177447487748 67 0.0 68 0.0 69 4.73950231427882 70 0.0 71 0.0 72 3.55860514248908 73 -0.011710924251804 74 -0.011710924251804 75 0.023421848503609 76 0.0 77 0.0 78 0.0 79 -0.14092445684488 80 -0.14092445684488 81 0.28184891368976 82 0.0 83 0.0 84 0.0 85 -0.60995676165018 86 -0.60995676165017 87 1.21991352330036 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.019011640634038 94 0.0 95 0.0 96 -0.012753396246452 97 0.0 98 0.0 99 -0.012753396246452 100 0.0 101 0.0 102 0.0 103 0.10749269337551 104 0.0 105 0.0 106 -0.072108290841653 107 0.0 108 0.0 109 -0.072108290841654 110 0.0 111 0.048100371915243 112 0.48926049191863 113 0.018624953801456 114 -3.47647878138488 115 -11.6380023996721 116 0.0 117 0.0 118 -0.22325359883308 119 0.0 120 0.0 121 0.13015318849431 122 0.0 123 0.0 124 2.42686815404837 125 0.0 126 0.0 127 1.56682769347952 128 -0.003111549324351 129 -0.003111549324351 130 0.006223098648703 131 0.0 132 0.0 133 0.0 134 0.067352754615507 135 0.067352754615508 136 -0.13470550923102 137 0.0 138 0.0 139 0.0 140 0.17401907249979 141 0.17401907249979 142 -0.34803814499958 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.009701704513025 149 0.0 150 0.0 151 -0.006508101236622 152 0.0 153 0.0 154 -0.006508101236622 155 0.0 156 0.0 157 0.0 158 0.033883736028045 159 0.0 160 0.0 161 -0.022729901127110 162 0.0 163 0.0 164 -0.022729901127110 165 0.0 Sym= 14.1 Ene= 0.3905 Spin= Alpha Occup= 0.000000 1 0.000000000000000 2 -0.000000000000002 3 -0.000000000000000 4 0.000000000000005 5 -0.000000000000084 6 0.0 7 0.0 8 -0.000000000000004 9 0.0 10 0.0 11 -0.000000000000000 12 0.0 13 0.0 14 -0.000000000000010 15 0.0 16 0.0 17 -0.000000000000035 18 0.022684778419326 19 -0.022684778419326 20 0.000000000000000 21 0.0 22 0.0 23 0.0 24 -0.034158589861136 25 0.034158589861137 26 -0.000000000000001 27 0.0 28 0.0 29 0.0 30 0.39984325634929 31 -0.39984325634928 32 -0.000000000000005 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000000000000000 39 0.0 40 0.0 41 0.007217218931991 42 0.0 43 0.0 44 -0.007217218931991 45 0.0 46 0.0 47 0.0 48 -0.000000000000001 49 0.0 50 0.0 51 -0.002376880514674 52 0.0 53 0.0 54 0.002376880514675 55 0.0 56 0.000000000000000 57 0.000000000000003 58 -0.000000000000000 59 0.000000000000076 60 0.000000000000198 61 0.0 62 0.0 63 0.000000000000001 64 0.0 65 0.0 66 0.000000000000003 67 0.0 68 0.0 69 0.000000000000035 70 0.0 71 0.0 72 0.000000000000041 73 0.026399151963396 74 -0.026399151963396 75 -0.000000000000000 76 0.0 77 0.0 78 0.0 79 -0.029908710084015 80 0.029908710084012 81 0.000000000000003 82 0.0 83 0.0 84 0.0 85 0.55498951794915 86 -0.55498951794915 87 -0.000000000000000 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000000 94 0.0 95 0.0 96 -0.004635348884996 97 0.0 98 0.0 99 0.004635348884996 100 0.0 101 0.0 102 0.0 103 0.000000000000001 104 0.0 105 0.0 106 0.017328441616239 107 0.0 108 0.0 109 -0.017328441616240 110 0.0 111 -0.000000000000000 112 0.000000000000001 113 0.000000000000000 114 -0.000000000000025 115 -0.000000000000164 116 0.0 117 0.0 118 0.000000000000006 119 0.0 120 0.0 121 0.000000000000001 122 0.0 123 0.0 124 0.000000000000034 125 0.0 126 0.0 127 0.000000000000016 128 0.006191941319458 129 -0.006191941319458 130 0.000000000000000 131 0.0 132 0.0 133 0.0 134 0.002744284700204 135 -0.002744284700202 136 -0.000000000000002 137 0.0 138 0.0 139 0.0 140 0.022405320729644 141 -0.022405320729640 142 -0.000000000000004 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000000 149 0.0 150 0.0 151 -0.004776079635865 152 0.0 153 0.0 154 0.004776079635865 155 0.0 156 0.0 157 0.0 158 0.000000000000000 159 0.0 160 0.0 161 0.009999829101804 162 0.0 163 0.0 164 -0.009999829101805 165 0.0 Sym= 1.4 Ene= 0.3905 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.026194125853891 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.039442942104583 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.46169922337057 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 0.008333726586574 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 -0.002744585212271 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.030483114984666 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 -0.034535603635318 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 0.64084669517093 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.005352439852649 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 0.020009160859474 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.007149837975441 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 0.003168827020437 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.025871435914654 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.005514941726571 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.011546808045839 Sym= 15.1 Ene= 0.4427 Spin= Alpha Occup= 0.000000 1 -0.003535841276908 2 0.24462194460585 3 0.013136160578116 4 -1.54187937050644 5 2.36302763758620 6 0.0 7 0.0 8 0.38975206778836 9 0.0 10 0.0 11 -0.10267360720838 12 0.0 13 0.0 14 0.75471117211555 15 0.0 16 0.0 17 1.65523976396952 18 -0.000800545619159 19 -0.000800545619159 20 0.001601091238318 21 0.0 22 0.0 23 0.0 24 0.001476033863126 25 0.001476033863126 26 -0.002952067726252 27 0.0 28 0.0 29 0.0 30 -0.33163385127204 31 -0.33163385127206 32 0.66326770254410 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.008746527109524 39 0.0 40 0.0 41 0.005867348755182 42 0.0 43 0.0 44 0.005867348755182 45 0.0 46 0.0 47 0.0 48 0.027989787730800 49 0.0 50 0.0 51 -0.018776120412557 52 0.0 53 0.0 54 -0.018776120412559 55 0.0 56 -0.064444478945979 57 -0.43292425064537 58 0.017761918750173 59 -5.81164832399000 60 -8.31704733004935 61 0.0 62 0.0 63 -0.11059867853754 64 0.0 65 0.0 66 -0.27223147480479 67 0.0 68 0.0 69 -2.72550274066479 70 0.0 71 0.0 72 -2.93556992997899 73 -0.024796104135985 74 -0.024796104135986 75 0.049592208271971 76 0.0 77 0.0 78 0.0 79 0.045448659024585 80 0.045448659024585 81 -0.090897318049170 82 0.0 83 0.0 84 0.0 85 -0.48120227186217 86 -0.48120227186216 87 0.96240454372433 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.018286288715647 94 0.0 95 0.0 96 0.012266815387312 97 0.0 98 0.0 99 0.012266815387312 100 0.0 101 0.0 102 0.0 103 -0.023357848856730 104 0.0 105 0.0 106 0.015668921355546 107 0.0 108 0.0 109 0.015668921355542 110 0.0 111 -0.014674081485200 112 0.001441962540882 113 -0.020369580816670 114 1.24947424091406 115 10.2923982929581 116 0.0 117 0.0 118 -0.53664423800292 119 0.0 120 0.0 121 -0.026073774468837 122 0.0 123 0.0 124 -2.58775815036636 125 0.0 126 0.0 127 -1.70410807750606 128 0.002131546347630 129 0.002131546347630 130 -0.004263092695260 131 0.0 132 0.0 133 0.0 134 -0.046970453288946 135 -0.046970453288946 136 0.093940906577892 137 0.0 138 0.0 139 0.0 140 -0.29763994638348 141 -0.29763994638348 142 0.59527989276697 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.008433707169938 149 0.0 150 0.0 151 0.005657502760292 152 0.0 153 0.0 154 0.005657502760293 155 0.0 156 0.0 157 0.0 158 -0.050565587037879 159 0.0 160 0.0 161 0.033920426981665 162 0.0 163 0.0 164 0.033920426981663 165 0.0 Sym= 16.1 Ene= 0.4916 Spin= Alpha Occup= 0.000000 1 -0.057775195436014 2 -0.19993370188666 3 0.011892084226671 4 1.00004907606349 5 -6.60894296161519 6 0.0 7 0.0 8 -0.31415107978825 9 0.0 10 0.0 11 -0.006156365891402 12 0.0 13 0.0 14 1.70403563517114 15 0.0 16 0.0 17 0.087304221346500 18 -0.012598017827255 19 -0.012598017827255 20 0.025196035654510 21 0.0 22 0.0 23 0.0 24 -0.045834610838652 25 -0.045834610838653 26 0.091669221677306 27 0.0 28 0.0 29 0.0 30 -0.81442154600879 31 -0.81442154600879 32 1.62884309201759 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.004391895301743 39 0.0 40 0.0 41 -0.002946172933428 42 0.0 43 0.0 44 -0.002946172933428 45 0.0 46 0.0 47 0.0 48 0.10801941471241 49 0.0 50 0.0 51 -0.072461626256006 52 0.0 53 0.0 54 -0.072461626256007 55 0.0 56 -0.050225362803917 57 0.33310719380217 58 -0.008070467946674 59 -1.94554541604292 60 10.0608108630397 61 0.0 62 0.0 63 -0.034222363413177 64 0.0 65 0.0 66 0.25778059312719 67 0.0 68 0.0 69 1.72994803559696 70 0.0 71 0.0 72 -3.12715039021343 73 0.005202968404059 74 0.005202968404059 75 -0.010405936808118 76 0.0 77 0.0 78 0.0 79 0.001010138385828 80 0.001010138385828 81 -0.002020276771655 82 0.0 83 0.0 84 0.0 85 -0.73344215889942 86 -0.73344215889941 87 1.46688431779883 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.004310570996535 94 0.0 95 0.0 96 -0.002891618931027 97 0.0 98 0.0 99 -0.002891618931028 100 0.0 101 0.0 102 0.0 103 0.073910742958445 104 0.0 105 0.0 106 -0.049580833656779 107 0.0 108 0.0 109 -0.049580833656780 110 0.0 111 0.004401503712175 112 -0.14577969985536 113 0.007409935854270 114 -2.24988579412024 115 -2.62966115885425 116 0.0 117 0.0 118 0.28663112753424 119 0.0 120 0.0 121 0.12055864870269 122 0.0 123 0.0 124 0.64106777495174 125 0.0 126 0.0 127 1.09822941732271 128 -0.004987572153983 129 -0.004987572153984 130 0.009975144307967 131 0.0 132 0.0 133 0.0 134 0.030545489690431 135 0.030545489690431 136 -0.061090979380862 137 0.0 138 0.0 139 0.0 140 -0.11012776539120 141 -0.11012776539120 142 0.22025553078241 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.005267638359266 149 0.0 150 0.0 151 -0.003533639235661 152 0.0 153 0.0 154 -0.003533639235662 155 0.0 156 0.0 157 0.0 158 0.013038864450038 159 0.0 160 0.0 161 -0.008746736177907 162 0.0 163 0.0 164 -0.008746736177907 165 0.0 Sym= 7.2 Ene= 0.5316 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.27460096067637 7 0.0 8 0.0 9 -0.071010993581492 10 0.0 11 0.0 12 5.70194275035582 13 0.0 14 0.0 15 2.11896895334265 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.007129557712577 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.26612530966632 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 3.28181507426074 35 0.0 36 0.003285018204637 37 0.0 38 0.0 39 0.001469104802298 40 0.0 41 0.0 42 -0.005876419210034 43 0.0 44 0.0 45 0.0 46 -0.19243717530538 47 0.0 48 0.0 49 -0.086060521077021 50 0.0 51 0.0 52 0.34424208430555 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.33565289378977 62 0.0 63 0.0 64 -0.040339803751788 65 0.0 66 0.0 67 -2.93967105036288 68 0.0 69 0.0 70 -2.23915480255389 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.033813165029013 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.49413504838678 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 4.96996562615137 90 0.0 91 0.003159095048763 92 0.0 93 0.0 94 0.001412790256337 95 0.0 96 0.0 97 -0.005651161022187 98 0.0 99 0.0 100 0.0 101 -0.023889870332662 102 0.0 103 0.0 104 -0.010683874810327 105 0.0 106 0.0 107 0.042735499232820 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.19576966863316 117 0.0 118 0.0 119 0.090519913663834 120 0.0 121 0.0 122 -2.61033549946974 123 0.0 124 0.0 125 -0.12499309553574 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.001104807950947 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.096016945694742 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 1.05983044944117 145 0.0 146 -0.000096817015512 147 0.0 148 0.0 149 -0.000043297888197 150 0.0 151 0.0 152 0.000173191545036 153 0.0 154 0.0 155 0.0 156 0.079231039311740 157 0.0 158 0.0 159 0.035433197970576 160 0.0 161 0.0 162 -0.14173279186798 163 0.0 164 0.0 165 0.0 Sym= 7.3 Ene= 0.5316 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.27460096067641 8 0.0 9 0.0 10 -0.071010993580761 11 0.0 12 0.0 13 5.70194275035793 14 0.0 15 0.0 16 2.11896895334414 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.007129557712564 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.26612530966673 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 3.28181507426364 36 0.0 37 0.003285018204650 38 0.0 39 0.0 40 0.001469104802304 41 0.0 42 0.0 43 -0.005876419210057 44 0.0 45 0.0 46 0.0 47 -0.19243717530558 48 0.0 49 0.0 50 -0.086060521077109 51 0.0 52 0.0 53 0.34424208430590 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.33565289378960 63 0.0 64 0.0 65 -0.040339803752188 66 0.0 67 0.0 68 -2.93967105037275 69 0.0 70 0.0 71 -2.23915480255561 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.033813165029012 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.49413504838648 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 4.96996562614865 91 0.0 92 0.003159095048752 93 0.0 94 0.0 95 0.001412790256332 96 0.0 97 0.0 98 -0.005651161022167 99 0.0 100 0.0 101 0.0 102 -0.023889870331940 103 0.0 104 0.0 105 -0.010683874810004 106 0.0 107 0.0 108 0.042735499231528 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.19576966863293 118 0.0 119 0.0 120 0.090519913663880 121 0.0 122 0.0 123 -2.61033549946405 124 0.0 125 0.0 126 -0.12499309553411 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.001104807950972 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.096016945694429 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 1.05983044943827 146 0.0 147 -0.000096817015495 148 0.0 149 0.0 150 -0.000043297888189 151 0.0 152 0.0 153 0.000173191545005 154 0.0 155 0.0 156 0.0 157 0.079231039311504 158 0.0 159 0.0 160 0.035433197970471 161 0.0 162 0.0 163 -0.14173279186756 164 0.0 165 0.0 Sym= 2.4 Ene= 0.5496 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.015485358613941 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 0.027350639968360 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 1.42956652307227 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.019665668019821 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.22317908475540 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.014979721662192 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.011024808686515 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -1.17011603727551 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.030982982938383 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 0.30984050607794 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 -0.009049760584981 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.037253182688174 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 -0.31178765924429 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.004569160125850 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.078002963340341 Sym= 17.1 Ene= 0.5496 Spin= Alpha Occup= 0.000000 1 -0.000000000000000 2 -0.000000000000002 3 0.000000000000001 4 -0.000000000000206 5 -0.000000000000176 6 0.0 7 0.0 8 -0.000000000000002 9 0.0 10 0.0 11 -0.000000000000010 12 0.0 13 0.0 14 -0.000000000000122 15 0.0 16 0.0 17 -0.000000000000053 18 0.013410713945646 19 -0.013410713945646 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 0.023686349026099 25 -0.023686349026091 26 -0.000000000000007 27 0.0 28 0.0 29 0.0 30 1.23804092537954 31 -1.23804092537950 32 -0.000000000000038 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000000 39 0.0 40 0.0 41 -0.017030968087848 42 0.0 43 0.0 44 0.017030968087848 45 0.0 46 0.0 47 0.0 48 -0.000000000000003 49 0.0 50 0.0 51 0.19327875699517 52 0.0 53 0.0 54 -0.19327875699517 55 0.0 56 0.000000000000000 57 0.000000000000006 58 -0.000000000000001 59 0.000000000000272 60 0.000000000000232 61 0.0 62 0.0 63 0.000000000000003 64 0.0 65 0.0 66 -0.000000000000009 67 0.0 68 0.0 69 -0.000000000000079 70 0.0 71 0.0 72 0.000000000000008 73 -0.012972819500674 74 0.012972819500675 75 -0.000000000000000 76 0.0 77 0.0 78 0.0 79 0.009547764390928 80 -0.009547764390936 81 0.000000000000009 82 0.0 83 0.0 84 0.0 85 -1.01335021365659 86 1.01335021365657 87 0.000000000000026 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000000 94 0.0 95 0.0 96 -0.026832050310173 97 0.0 98 0.0 99 0.026832050310173 100 0.0 101 0.0 102 0.0 103 -0.000000000000001 104 0.0 105 0.0 106 0.26832974939054 107 0.0 108 0.0 109 -0.26832974939054 110 0.0 111 0.000000000000001 112 -0.000000000000000 113 -0.000000000000000 114 -0.000000000000027 115 -0.000000000000088 116 0.0 117 0.0 118 0.000000000000005 119 0.0 120 0.0 121 0.000000000000002 122 0.0 123 0.0 124 0.000000000000018 125 0.0 126 0.0 127 0.000000000000009 128 -0.007837322564519 129 0.007837322564519 130 0.000000000000000 131 0.0 132 0.0 133 0.0 134 -0.032262202582294 135 0.032262202582295 136 -0.000000000000001 137 0.0 138 0.0 139 0.0 140 -0.27001603349422 141 0.27001603349422 142 0.000000000000000 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000000 149 0.0 150 0.0 151 -0.003957008743009 152 0.0 153 0.0 154 0.003957008743009 155 0.0 156 0.0 157 0.0 158 -0.000000000000001 159 0.0 160 0.0 161 0.067552547823813 162 0.0 163 0.0 164 -0.067552547823812 165 0.0 Sym= 18.1 Ene= 0.5936 Spin= Alpha Occup= 0.000000 1 -0.006741031607002 2 0.062748103598737 3 -0.021190933398769 4 13.2376426087824 5 5.12603871712486 6 0.0 7 0.0 8 0.000481781549486 9 0.0 10 0.0 11 0.56999820037556 12 0.0 13 0.0 14 6.26481160249793 15 0.0 16 0.0 17 2.08804529551656 18 -0.009443868504566 19 -0.009443868504566 20 0.018887737009132 21 0.0 22 0.0 23 0.0 24 -0.15290808549531 25 -0.15290808549531 26 0.30581617099063 27 0.0 28 0.0 29 0.0 30 -1.09790458039780 31 -1.09790458039782 32 2.19580916079561 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.005640107282181 39 0.0 40 0.0 41 -0.003783498985005 42 0.0 43 0.0 44 -0.003783498985004 45 0.0 46 0.0 47 0.0 48 0.16874353486207 49 0.0 50 0.0 51 -0.11319660441456 52 0.0 53 0.0 54 -0.11319660441456 55 0.0 56 0.039920654040759 57 -0.21222343825594 58 0.047065352544763 59 -13.0306077463415 60 -5.96810548726978 61 0.0 62 0.0 63 -0.40778917155702 64 0.0 65 0.0 66 0.49779589493375 67 0.0 68 0.0 69 5.95056441809652 70 0.0 71 0.0 72 -1.33804777335895 73 -0.003179891142506 74 -0.003179891142506 75 0.006359782285012 76 0.0 77 0.0 78 0.0 79 0.21247429546588 80 0.21247429546588 81 -0.42494859093176 82 0.0 83 0.0 84 0.0 85 1.37113537810966 86 1.37113537810968 87 -2.74227075621934 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.001361900003151 94 0.0 95 0.0 96 -0.000913590295681 97 0.0 98 0.0 99 -0.000913590295681 100 0.0 101 0.0 102 0.0 103 0.066552555558465 104 0.0 105 0.0 106 -0.044644811491516 107 0.0 108 0.0 109 -0.044644811491520 110 0.0 111 0.011659374655155 112 0.13689615151576 113 -0.005784293237648 114 1.60649368891653 115 0.15928162839300 116 0.0 117 0.0 118 -0.14931176906217 119 0.0 120 0.0 121 -0.16360517313020 122 0.0 123 0.0 124 0.029176011924689 125 0.0 126 0.0 127 1.61306724661379 128 0.010467371605737 129 0.010467371605737 130 -0.020934743211473 131 0.0 132 0.0 133 0.0 134 -0.014045212686120 135 -0.014045212686120 136 0.028090425372239 137 0.0 138 0.0 139 0.0 140 0.33463693707492 141 0.33463693707493 142 -0.66927387414985 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.001605439194374 149 0.0 150 0.0 151 0.001076961351709 152 0.0 153 0.0 154 0.001076961351709 155 0.0 156 0.0 157 0.0 158 0.079285790933039 159 0.0 160 0.0 161 -0.053186525452834 162 0.0 163 0.0 164 -0.053186525452834 165 0.0 Sym= 8.2 Ene= 0.6266 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.24856314208433 7 0.0 8 0.0 9 -0.38521350151996 10 0.0 11 0.0 12 -0.19263318276150 13 0.0 14 0.0 15 -1.25069088855470 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.020104388363017 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.13222259517335 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -1.69866235903156 35 0.0 36 -0.011166372422381 37 0.0 38 0.0 39 -0.004993753559494 40 0.0 41 0.0 42 0.019975014238608 43 0.0 44 0.0 45 0.0 46 0.10964163453910 47 0.0 48 0.0 49 0.049033229599403 50 0.0 51 0.0 52 -0.19613291839558 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.20603917189887 62 0.0 63 0.0 64 0.041276377809551 65 0.0 66 0.0 67 5.22568659609232 68 0.0 69 0.0 70 1.23453789582399 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.007428701439351 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.16188925412717 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 1.85007819675270 90 0.0 91 0.005371247045126 92 0.0 93 0.0 94 0.002402094702817 95 0.0 96 0.0 97 -0.009608378812925 98 0.0 99 0.0 100 0.0 101 -0.26192705957094 102 0.0 103 0.0 104 -0.11713734207097 105 0.0 106 0.0 107 0.46854936827932 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.27135936775019 117 0.0 118 0.0 119 -0.038657531670881 120 0.0 121 0.0 122 -2.75970600400011 123 0.0 124 0.0 125 -1.16898933377738 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.008638263167799 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.11705556978534 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 1.43820523999083 145 0.0 146 -0.009062659752106 147 0.0 148 0.0 149 -0.004052944653112 150 0.0 151 0.0 152 0.016211778610707 153 0.0 154 0.0 155 0.0 156 0.11005377595236 157 0.0 158 0.0 159 0.049217544845390 160 0.0 161 0.0 162 -0.19687017937139 163 0.0 164 0.0 165 0.0 Sym= 8.3 Ene= 0.6266 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.24856314208396 8 0.0 9 0.0 10 -0.38521350152024 11 0.0 12 0.0 13 -0.19263318275932 14 0.0 15 0.0 16 -1.25069088855220 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.020104388362992 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.13222259517356 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -1.69866235902932 36 0.0 37 -0.011166372422366 38 0.0 39 0.0 40 -0.004993753559487 41 0.0 42 0.0 43 0.019975014238581 44 0.0 45 0.0 46 0.0 47 0.10964163453905 48 0.0 49 0.0 50 0.049033229599380 51 0.0 52 0.0 53 -0.19613291839548 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.20603917189932 63 0.0 64 0.0 65 0.041276377809458 66 0.0 67 0.0 68 5.22568659609191 69 0.0 70 0.0 71 1.23453789582095 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.007428701439334 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.16188925412710 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 1.85007819675525 91 0.0 92 0.005371247045125 93 0.0 94 0.0 95 0.002402094702816 96 0.0 97 0.0 98 -0.009608378812922 99 0.0 100 0.0 101 0.0 102 -0.26192705957109 103 0.0 104 0.0 105 -0.11713734207103 106 0.0 107 0.0 108 0.46854936827959 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.27135936775049 118 0.0 119 0.0 120 -0.038657531670895 121 0.0 122 0.0 123 -2.75970600400137 124 0.0 125 0.0 126 -1.16898933377699 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.008638263167786 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.11705556978538 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 1.43820523999163 146 0.0 147 -0.009062659752104 148 0.0 149 0.0 150 -0.004052944653110 151 0.0 152 0.0 153 0.016211778610703 154 0.0 155 0.0 156 0.0 157 0.11005377595238 158 0.0 159 0.0 160 0.049217544845399 161 0.0 162 0.0 163 -0.19687017937143 164 0.0 165 0.0 Sym= 9.2 Ene= 0.7390 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.38920972982820 7 0.0 8 0.0 9 0.26216354138198 10 0.0 11 0.0 12 0.68976369135621 13 0.0 14 0.0 15 -0.50716602078172 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.007245847925943 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.076412887950499 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.43137331254054 35 0.0 36 -0.004430264415346 37 0.0 38 0.0 39 -0.001981274478436 40 0.0 41 0.0 42 0.007925097913043 43 0.0 44 0.0 45 0.0 46 0.040066402770771 47 0.0 48 0.0 49 0.017918240042728 50 0.0 51 0.0 52 -0.071672960168327 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.30691055275011 62 0.0 63 0.0 64 0.28699285638079 65 0.0 66 0.0 67 -0.22545689180185 68 0.0 69 0.0 70 1.71895358764318 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.012383840300008 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.16023786240031 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 2.47644137082733 90 0.0 91 0.008086775238846 92 0.0 93 0.0 94 0.003616515830066 95 0.0 96 0.0 97 -0.014466063321759 98 0.0 99 0.0 100 0.0 101 0.013447055328816 102 0.0 103 0.0 104 0.006013705962000 105 0.0 106 0.0 107 -0.024054823849460 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.20357647706283 117 0.0 118 0.0 119 0.10074833460408 120 0.0 121 0.0 122 -1.21686483468021 123 0.0 124 0.0 125 -1.32042096390076 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.006222112750345 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.078980308386138 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.49677846708992 145 0.0 146 -0.002393540474645 147 0.0 148 0.0 149 -0.001070423842206 150 0.0 151 0.0 152 0.004281695367128 153 0.0 154 0.0 155 0.0 156 -0.008104903367886 157 0.0 158 0.0 159 -0.003624622973599 160 0.0 161 0.0 162 0.014498491902596 163 0.0 164 0.0 165 0.0 Sym= 9.3 Ene= 0.7390 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.38920972982829 8 0.0 9 0.0 10 0.26216354138182 11 0.0 12 0.0 13 0.68976369135483 14 0.0 15 0.0 16 -0.50716602078175 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.007245847925931 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.076412887950244 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.43137331254111 36 0.0 37 -0.004430264415340 38 0.0 39 0.0 40 -0.001981274478434 41 0.0 42 0.0 43 0.007925097913034 44 0.0 45 0.0 46 0.0 47 0.040066402770842 48 0.0 49 0.0 50 0.017918240042759 51 0.0 52 0.0 53 -0.071672960168453 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.30691055274993 63 0.0 64 0.0 65 0.28699285638083 66 0.0 67 0.0 68 -0.22545689179942 69 0.0 70 0.0 71 1.71895358764324 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.012383840300011 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.16023786240047 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 2.47644137082727 91 0.0 92 0.008086775238845 93 0.0 94 0.0 95 0.003616515830065 96 0.0 97 0.0 98 -0.014466063321757 99 0.0 100 0.0 101 0.0 102 0.013447055328655 103 0.0 104 0.0 105 0.006013705961928 106 0.0 107 0.0 108 -0.024054823849173 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.20357647706295 118 0.0 119 0.0 120 0.10074833460399 121 0.0 122 0.0 123 -1.21686483468069 124 0.0 125 0.0 126 -1.32042096390106 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.006222112750349 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.078980308386107 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.49677846709042 146 0.0 147 -0.002393540474646 148 0.0 149 0.0 150 -0.001070423842207 151 0.0 152 0.0 153 0.004281695367130 154 0.0 155 0.0 156 0.0 157 -0.008104903367868 158 0.0 159 0.0 160 -0.003624622973590 161 0.0 162 0.0 163 0.014498491902562 164 0.0 165 0.0 Sym= 19.1 Ene= 0.7638 Spin= Alpha Occup= 0.000000 1 -0.045250547404518 2 -0.001443480364621 3 -0.063719308452797 4 12.5163644888156 5 12.7005526305313 6 0.0 7 0.0 8 0.034833095556897 9 0.0 10 0.0 11 0.62190668807668 12 0.0 13 0.0 14 7.19537141628398 15 0.0 16 0.0 17 2.43921758238855 18 -0.000706306261660 19 -0.000706306261660 20 0.001412612523319 21 0.0 22 0.0 23 0.0 24 -0.19251032754666 25 -0.19251032754666 26 0.38502065509332 27 0.0 28 0.0 29 0.0 30 -1.09938448011785 31 -1.09938448011784 32 2.19876896023568 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.015088106845031 39 0.0 40 0.0 41 -0.010121409767181 42 0.0 43 0.0 44 -0.010121409767180 45 0.0 46 0.0 47 0.0 48 0.10020913266374 49 0.0 50 0.0 51 -0.067222329780723 52 0.0 53 0.0 54 -0.067222329780721 55 0.0 56 -0.008918623475894 57 -0.15050518961341 58 0.086609997606111 59 -22.3704969384209 60 -18.3760823592588 61 0.0 62 0.0 63 0.25059858250263 64 0.0 65 0.0 66 0.36471349780838 67 0.0 68 0.0 69 -0.10215839122888 70 0.0 71 0.0 72 1.65595719860100 73 -0.015602918799890 74 -0.015602918799890 75 0.031205837599780 76 0.0 77 0.0 78 0.0 79 0.36916732804132 80 0.36916732804132 81 -0.73833465608264 82 0.0 83 0.0 84 0.0 85 1.67867526358440 86 1.67867526358438 87 -3.35735052716877 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.041903616728145 94 0.0 95 0.0 96 -0.028109800652169 97 0.0 98 0.0 99 -0.028109800652169 100 0.0 101 0.0 102 0.0 103 -0.23168852878455 104 0.0 105 0.0 106 0.15542138999075 107 0.0 108 0.0 109 0.15542138999075 110 0.0 111 -0.059542658349057 112 0.011715953361209 113 0.014432010869839 114 7.53939188242860 115 8.48601494193716 116 0.0 117 0.0 118 -0.034474306724660 119 0.0 120 0.0 121 -0.29879263707624 122 0.0 123 0.0 124 -3.68364151169401 125 0.0 126 0.0 127 -2.15317826841330 128 -0.011515474912625 129 -0.011515474912624 130 0.023030949825249 131 0.0 132 0.0 133 0.0 134 -0.032446286093991 135 -0.032446286093993 136 0.064892572187984 137 0.0 138 0.0 139 0.0 140 -0.72676695946621 141 -0.72676695946619 142 1.45353391893241 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.005602124176262 149 0.0 150 0.0 151 -0.003758019142955 152 0.0 153 0.0 154 -0.003758019142955 155 0.0 156 0.0 157 0.0 158 -0.049653241507628 159 0.0 160 0.0 161 0.033308406994281 162 0.0 163 0.0 164 0.033308406994281 165 0.0 Sym= 20.1 Ene= 0.7980 Spin= Alpha Occup= 0.000000 1 0.018447312726695 2 0.44126190597339 3 -0.049704738937480 4 23.5118757078037 5 26.9548128930452 6 0.0 7 0.0 8 -0.30969325833679 9 0.0 10 0.0 11 0.52695735304123 12 0.0 13 0.0 14 14.6263077929190 15 0.0 16 0.0 17 4.54659764858639 18 0.017092821687975 19 0.017092821687975 20 -0.034185643375950 21 0.0 22 0.0 23 0.0 24 -0.30430517230335 25 -0.30430517230335 26 0.60861034460671 27 0.0 28 0.0 29 0.0 30 -1.06333203099257 31 -1.06333203099257 32 2.12666406198514 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.047480585910359 39 0.0 40 0.0 41 -0.031850945312124 42 0.0 43 0.0 44 -0.031850945312124 45 0.0 46 0.0 47 0.0 48 0.072365489654342 49 0.0 50 0.0 51 -0.048544246227650 52 0.0 53 0.0 54 -0.048544246227650 55 0.0 56 -0.047626004448598 57 -0.22543315456987 58 0.002736960513557 59 -19.3266699429410 60 -25.6210139842680 61 0.0 62 0.0 63 0.17460967527130 64 0.0 65 0.0 66 0.84145027464948 67 0.0 68 0.0 69 17.9232628242103 70 0.0 71 0.0 72 6.66992743335183 73 0.008194434957374 74 0.008194434957374 75 -0.016388869914747 76 0.0 77 0.0 78 0.0 79 0.17600906094964 80 0.17600906094964 81 -0.35201812189927 82 0.0 83 0.0 84 0.0 85 0.25521802976690 86 0.25521802976689 87 -0.51043605953379 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.034430490669976 94 0.0 95 0.0 96 -0.023096675291022 97 0.0 98 0.0 99 -0.023096675291022 100 0.0 101 0.0 102 0.0 103 0.26677613342458 104 0.0 105 0.0 106 -0.17895887073358 107 0.0 108 0.0 109 -0.17895887073358 110 0.0 111 0.044036284422979 112 -0.083370977905265 113 0.001936682774647 114 -6.41855432041163 115 -1.14057836140508 116 0.0 117 0.0 118 0.063678637706479 119 0.0 120 0.0 121 0.13763733330592 122 0.0 123 0.0 124 2.40924458086191 125 0.0 126 0.0 127 -1.25288654493000 128 -0.001277822307351 129 -0.001277822307351 130 0.002555644614701 131 0.0 132 0.0 133 0.0 134 0.047038546736122 135 0.047038546736121 136 -0.094077093472243 137 0.0 138 0.0 139 0.0 140 -0.12726063459589 141 -0.12726063459588 142 0.25452126919177 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.024180423885579 149 0.0 150 0.0 151 -0.016220721459875 152 0.0 153 0.0 154 -0.016220721459874 155 0.0 156 0.0 157 0.0 158 -0.029682313045907 159 0.0 160 0.0 161 0.019911500910023 162 0.0 163 0.0 164 0.019911500910023 165 0.0 Sym= 21.1 Ene= 0.8341 Spin= Alpha Occup= 0.000000 1 -0.000000000000001 2 -0.000000000000001 3 -0.000000000000000 4 0.000000000000112 5 0.000000000000160 6 0.0 7 0.0 8 0.000000000000001 9 0.0 10 0.0 11 0.000000000000001 12 0.0 13 0.0 14 0.000000000000067 15 0.0 16 0.0 17 0.000000000000028 18 0.013420542709390 19 -0.013420542709389 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 -0.12717684398733 25 0.12717684398733 26 0.000000000000001 27 0.0 28 0.0 29 0.0 30 0.83826822575498 31 -0.83826822575500 32 0.000000000000018 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000000 39 0.0 40 0.0 41 -0.007600760709964 42 0.0 43 0.0 44 0.007600760709964 45 0.0 46 0.0 47 0.0 48 0.000000000000002 49 0.0 50 0.0 51 -0.049346430377431 52 0.0 53 0.0 54 0.049346430377429 55 0.0 56 -0.000000000000000 57 -0.000000000000003 58 -0.000000000000000 59 -0.000000000000132 60 -0.000000000000189 61 0.0 62 0.0 63 0.000000000000003 64 0.0 65 0.0 66 0.000000000000004 67 0.0 68 0.0 69 0.000000000000044 70 0.0 71 0.0 72 0.000000000000034 73 -0.009780516462824 74 0.009780516462824 75 0.000000000000000 76 0.0 77 0.0 78 0.0 79 0.032568338502054 80 -0.032568338502055 81 0.000000000000001 82 0.0 83 0.0 84 0.0 85 -1.47032519592454 86 1.47032519592456 87 -0.000000000000023 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000000 94 0.0 95 0.0 96 0.014160373243436 97 0.0 98 0.0 99 -0.014160373243436 100 0.0 101 0.0 102 0.0 103 -0.000000000000000 104 0.0 105 0.0 106 -0.19252494944706 107 0.0 108 0.0 109 0.19252494944706 110 0.0 111 -0.000000000000000 112 -0.000000000000000 113 0.000000000000000 114 0.000000000000013 115 0.000000000000040 116 0.0 117 0.0 118 -0.000000000000001 119 0.0 120 0.0 121 0.000000000000000 122 0.0 123 0.0 124 -0.000000000000003 125 0.0 126 0.0 127 -0.000000000000016 128 0.030732344807056 129 -0.030732344807056 130 0.000000000000000 131 0.0 132 0.0 133 0.0 134 -0.089845786497145 135 0.089845786497146 136 -0.000000000000001 137 0.0 138 0.0 139 0.0 140 1.39170007692509 141 -1.39170007692510 142 0.000000000000009 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000000 149 0.0 150 0.0 151 0.015066445905253 152 0.0 153 0.0 154 -0.015066445905253 155 0.0 156 0.0 157 0.0 158 0.000000000000000 159 0.0 160 0.0 161 -0.10258075313652 162 0.0 163 0.0 164 0.10258075313652 165 0.0 Sym= 3.4 Ene= 0.8341 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.015496707892959 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.14685117022708 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.96794877157493 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.008776602482554 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 -0.056980349737044 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.011293567625749 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.037606678007177 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -1.69778529531674 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.016350990608603 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.22230866278728 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.035486655093758 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.10374497803598 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 1.60699682808573 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 0.017397233198156 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 -0.11845005087352 Sym= 10.3 Ene= 0.8653 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.29665410795677 8 0.0 9 0.0 10 0.18794629742823 11 0.0 12 0.0 13 0.38635208057238 14 0.0 15 0.0 16 -1.18897760400423 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.001002688151449 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.33015558816555 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.16216119619039 36 0.0 37 -0.020343371190494 38 0.0 39 0.0 40 -0.009097832174692 41 0.0 42 0.0 43 0.036391328698765 44 0.0 45 0.0 46 0.0 47 -0.036452990792365 48 0.0 49 0.0 50 -0.016302273079936 51 0.0 52 0.0 53 0.065209092316878 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.34439321630729 63 0.0 64 0.0 65 0.11340409939272 66 0.0 67 0.0 68 0.51313319979435 69 0.0 70 0.0 71 2.24793077213370 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.035919041189364 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.35141650337098 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.10416677505228 91 0.0 92 0.014261853830630 93 0.0 94 0.0 95 0.006378094928925 96 0.0 97 0.0 98 -0.025512379719198 99 0.0 100 0.0 101 0.0 102 0.14167504592178 103 0.0 104 0.0 105 0.063359006681264 106 0.0 107 0.0 108 -0.25343602671917 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.22425029042446 118 0.0 119 0.0 120 -0.045641341418023 121 0.0 122 0.0 123 0.11128844313463 124 0.0 125 0.0 126 -1.72263194932524 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.037424136011381 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.11464643440458 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 1.63589121972524 146 0.0 147 -0.010560258278426 148 0.0 149 0.0 150 -0.004722691073923 151 0.0 152 0.0 153 0.018890764296233 154 0.0 155 0.0 156 0.0 157 0.078049779234896 158 0.0 159 0.0 160 0.034904922399475 161 0.0 162 0.0 163 -0.13961968959832 164 0.0 165 0.0 Sym= 10.2 Ene= 0.8653 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.29665410795684 7 0.0 8 0.0 9 0.18794629742833 10 0.0 11 0.0 12 0.38635208057421 13 0.0 14 0.0 15 -1.18897760400418 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.001002688151437 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.33015558816573 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.16216119618973 35 0.0 36 -0.020343371190497 37 0.0 38 0.0 39 -0.009097832174694 40 0.0 41 0.0 42 0.036391328698771 43 0.0 44 0.0 45 0.0 46 -0.036452990792402 47 0.0 48 0.0 49 -0.016302273079952 50 0.0 51 0.0 52 0.065209092316942 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.34439321630734 62 0.0 63 0.0 64 0.11340409939265 65 0.0 66 0.0 67 0.51313319979201 68 0.0 69 0.0 70 2.24793077213369 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.035919041189359 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.35141650337098 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.10416677505293 90 0.0 91 0.014261853830631 92 0.0 93 0.0 94 0.006378094928926 95 0.0 96 0.0 97 -0.025512379719200 98 0.0 99 0.0 100 0.0 101 0.14167504592197 102 0.0 103 0.0 104 0.063359006681351 105 0.0 106 0.0 107 -0.25343602671951 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.22425029042455 117 0.0 118 0.0 119 -0.045641341417975 120 0.0 121 0.0 122 0.11128844313529 123 0.0 124 0.0 125 -1.72263194932530 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.037424136011387 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.11464643440467 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 1.63589121972481 145 0.0 146 -0.010560258278424 147 0.0 148 0.0 149 -0.004722691073923 150 0.0 151 0.0 152 0.018890764296229 153 0.0 154 0.0 155 0.0 156 0.078049779234858 157 0.0 158 0.0 159 0.034904922399459 160 0.0 161 0.0 162 -0.13961968959825 163 0.0 164 0.0 165 0.0 Sym= 22.1 Ene= 1.0121 Spin= Alpha Occup= 0.000000 1 0.040324078012598 2 0.14616226950282 3 0.12260659518813 4 6.54330819609366 5 -4.39586580596279 6 0.0 7 0.0 8 0.44056517106572 9 0.0 10 0.0 11 -0.10476715864212 12 0.0 13 0.0 14 -0.42648560594355 15 0.0 16 0.0 17 -1.76486827425847 18 -0.006026134948904 19 -0.006026134948904 20 0.012052269897808 21 0.0 22 0.0 23 0.0 24 0.25655459862432 25 0.25655459862432 26 -0.51310919724864 27 0.0 28 0.0 29 0.0 30 0.48342410285502 31 0.48342410285502 32 -0.96684820571004 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.015394424858472 39 0.0 40 0.0 41 0.010326894137417 42 0.0 43 0.0 44 0.010326894137417 45 0.0 46 0.0 47 0.0 48 -0.20763211584876 49 0.0 50 0.0 51 0.13928385760498 52 0.0 53 0.0 54 0.13928385760498 55 0.0 56 0.023351424239792 57 -0.19780484686743 58 -0.096433087707428 59 8.73512010226254 60 11.4745903629914 61 0.0 62 0.0 63 -0.073051600240226 64 0.0 65 0.0 66 -0.43804417297799 67 0.0 68 0.0 69 13.9385921337446 70 0.0 71 0.0 72 2.47158386826154 73 -0.006230417293423 74 -0.006230417293424 75 0.012460834586847 76 0.0 77 0.0 78 0.0 79 -0.44725509234422 80 -0.44725509234422 81 0.89451018468844 82 0.0 83 0.0 84 0.0 85 -0.32225883084281 86 -0.32225883084282 87 0.64451766168563 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.015993915656608 94 0.0 95 0.0 96 0.010729044790372 97 0.0 98 0.0 99 0.010729044790372 100 0.0 101 0.0 102 0.0 103 0.64423753017242 104 0.0 105 0.0 106 -0.43216767333663 107 0.0 108 0.0 109 -0.43216767333663 110 0.0 111 -0.042220940041174 112 -0.31823362426272 113 0.014608570998928 114 -10.5783307681971 115 -11.6153765503316 116 0.0 117 0.0 118 -0.45576221356020 119 0.0 120 0.0 121 0.30929627728379 122 0.0 123 0.0 124 5.86270432891017 125 0.0 126 0.0 127 1.14096324599105 128 -0.012471728955706 129 -0.012471728955706 130 0.024943457911412 131 0.0 132 0.0 133 0.0 134 0.14320800963757 135 0.14320800963757 136 -0.28641601927513 137 0.0 138 0.0 139 0.0 140 -0.33414637319180 141 -0.33414637319179 142 0.66829274638359 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.023634601180973 149 0.0 150 0.0 151 -0.015854572458526 152 0.0 153 0.0 154 -0.015854572458526 155 0.0 156 0.0 157 0.0 158 -0.093642189276406 159 0.0 160 0.0 161 0.062817090235184 162 0.0 163 0.0 164 0.062817090235184 165 0.0 Sym= 11.3 Ene= 1.0277 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.42233025348387 8 0.0 9 0.0 10 0.36133308638423 11 0.0 12 0.0 13 10.2995303991557 14 0.0 15 0.0 16 0.99054560684565 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.056242739808684 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.89822273535000 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 4.33544861708608 36 0.0 37 -0.013412254524290 38 0.0 39 0.0 40 -0.005998142569586 41 0.0 42 0.0 43 0.023992570278291 44 0.0 45 0.0 46 0.0 47 -0.27098618897744 48 0.0 49 0.0 50 -0.12118870790831 51 0.0 52 0.0 53 0.48475483161861 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.35080558515182 63 0.0 64 0.0 65 -0.31287057047633 66 0.0 67 0.0 68 -12.6405361732608 69 0.0 70 0.0 71 -1.15511804641762 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.006212512591353 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.44737720424889 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 3.64345641324609 91 0.0 92 0.003898445694094 93 0.0 94 0.0 95 0.001743437917006 96 0.0 97 0.0 98 -0.006973751664158 99 0.0 100 0.0 101 0.0 102 0.79479856451930 103 0.0 104 0.0 105 0.35544472373655 106 0.0 107 0.0 108 -1.42177889494720 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.25397744256907 118 0.0 119 0.0 120 0.19046003603553 121 0.0 122 0.0 123 2.44943072281013 124 0.0 125 0.0 126 0.38908296161417 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.008177177322715 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.25881460518177 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -1.90642130408746 146 0.0 147 0.005282594255982 148 0.0 149 0.0 150 0.002362447967292 151 0.0 152 0.0 153 -0.009449791879647 154 0.0 155 0.0 156 0.0 157 -0.10449568633295 158 0.0 159 0.0 160 -0.046731891594815 161 0.0 162 0.0 163 0.18692756639240 164 0.0 165 0.0 Sym= 11.2 Ene= 1.0277 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.42233025348346 7 0.0 8 0.0 9 0.36133308638387 10 0.0 11 0.0 12 10.2995303991530 13 0.0 14 0.0 15 0.99054560684723 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.056242739808648 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.89822273534940 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 4.33544861708607 35 0.0 36 -0.013412254524273 37 0.0 38 0.0 39 -0.005998142569579 40 0.0 41 0.0 42 0.023992570278261 43 0.0 44 0.0 45 0.0 46 -0.27098618897723 47 0.0 48 0.0 49 -0.12118870790822 50 0.0 51 0.0 52 0.48475483161823 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.35080558515183 62 0.0 63 0.0 64 -0.31287057047658 65 0.0 66 0.0 67 -12.6405361732616 68 0.0 69 0.0 70 -1.15511804642009 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.006212512591397 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.44737720424790 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 3.64345641324325 90 0.0 91 0.003898445694092 92 0.0 93 0.0 94 0.001743437917005 95 0.0 96 0.0 97 -0.006973751664153 98 0.0 99 0.0 100 0.0 101 0.79479856451929 102 0.0 103 0.0 104 0.35544472373655 105 0.0 106 0.0 107 -1.42177889494719 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.25397744256942 117 0.0 118 0.0 119 0.19046003603548 120 0.0 121 0.0 122 2.44943072281356 123 0.0 124 0.0 125 0.38908296161574 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.008177177322729 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.25881460518193 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -1.90642130408914 145 0.0 146 0.005282594255990 147 0.0 148 0.0 149 0.002362447967296 150 0.0 151 0.0 152 -0.009449791879662 153 0.0 154 0.0 155 0.0 156 -0.10449568633312 157 0.0 158 0.0 159 -0.046731891594890 160 0.0 161 0.0 162 0.18692756639270 163 0.0 164 0.0 165 0.0 Sym= 23.1 Ene= 1.0995 Spin= Alpha Occup= 0.000000 1 0.19005121377253 2 0.66011207211373 3 0.12882026743765 4 12.6620260532386 5 11.2885576754114 6 0.0 7 0.0 8 -0.41784090352200 9 0.0 10 0.0 11 -0.058014498043942 12 0.0 13 0.0 14 4.63445956646191 15 0.0 16 0.0 17 1.24505918262286 18 -0.000674030255308 19 -0.000674030255308 20 0.001348060510616 21 0.0 22 0.0 23 0.0 24 0.012072364770724 25 0.012072364770726 26 -0.024144729541450 27 0.0 28 0.0 29 0.0 30 0.42503549310761 31 0.42503549310760 32 -0.85007098621521 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.026576742773014 39 0.0 40 0.0 41 0.017828221038295 42 0.0 43 0.0 44 0.017828221038296 45 0.0 46 0.0 47 0.0 48 -0.28793426232442 49 0.0 50 0.0 51 0.19315217508260 52 0.0 53 0.0 54 0.19315217508260 55 0.0 56 0.037050101115916 57 0.31768444151474 58 0.032271378733421 59 -15.0080589193491 60 -15.9578881119112 61 0.0 62 0.0 63 -0.60347767279374 64 0.0 65 0.0 66 -1.91640067795681 67 0.0 68 0.0 69 10.3865803583987 70 0.0 71 0.0 72 2.99967534464647 73 0.003283739288816 74 0.003283739288816 75 -0.006567478577632 76 0.0 77 0.0 78 0.0 79 0.17495106836586 80 0.17495106836586 81 -0.34990213673172 82 0.0 83 0.0 84 0.0 85 0.73096742515899 86 0.73096742515899 87 -1.46193485031798 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.083614908135164 94 0.0 95 0.0 96 0.056090585556788 97 0.0 98 0.0 99 0.056090585556788 100 0.0 101 0.0 102 0.0 103 0.52303613606823 104 0.0 105 0.0 106 -0.35086330648122 107 0.0 108 0.0 109 -0.35086330648122 110 0.0 111 -0.095335982992998 112 -0.070488584912217 113 -0.065491535881948 114 -0.42159949021611 115 6.44341687818039 116 0.0 117 0.0 118 -0.012277663590550 119 0.0 120 0.0 121 0.024115614625774 122 0.0 123 0.0 124 -3.79049654816543 125 0.0 126 0.0 127 -2.27444118671588 128 0.013352663250234 129 0.013352663250234 130 -0.026705326500468 131 0.0 132 0.0 133 0.0 134 -0.15586597206310 135 -0.15586597206310 136 0.31173194412620 137 0.0 138 0.0 139 0.0 140 -1.26556064588946 141 -1.26556064588946 142 2.53112129177892 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.003965718140312 149 0.0 150 0.0 151 -0.002660284602403 152 0.0 153 0.0 154 -0.002660284602403 155 0.0 156 0.0 157 0.0 158 -0.39537184902284 159 0.0 160 0.0 161 0.26522349924145 162 0.0 163 0.0 164 0.26522349924145 165 0.0 Sym= 24.1 Ene= 1.2383 Spin= Alpha Occup= 0.000000 1 -0.13048645215384 2 -0.63770474385858 3 -0.18930174553771 4 -12.1480686003455 5 0.24634861950529 6 0.0 7 0.0 8 -0.66224624286541 9 0.0 10 0.0 11 -0.25969588638316 12 0.0 13 0.0 14 -3.32888550418279 15 0.0 16 0.0 17 -0.27984142990708 18 -0.019071796966776 19 -0.019071796966775 20 0.038143593933551 21 0.0 22 0.0 23 0.0 24 -0.30025744628405 25 -0.30025744628405 26 0.60051489256810 27 0.0 28 0.0 29 0.0 30 0.10119153655660 31 0.10119153655660 32 -0.20238307311320 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.090521010509758 39 0.0 40 0.0 41 -0.060723339867538 42 0.0 43 0.0 44 -0.060723339867537 45 0.0 46 0.0 47 0.0 48 0.025523386067828 49 0.0 50 0.0 51 -0.017121607879091 52 0.0 53 0.0 54 -0.017121607879091 55 0.0 56 -0.046807355246778 57 -0.23437419516627 58 -0.058267062042412 59 12.8125453907944 60 2.29435631199701 61 0.0 62 0.0 63 -0.96103786046606 64 0.0 65 0.0 66 1.74734845665231 67 0.0 68 0.0 69 -9.09595931778973 70 0.0 71 0.0 72 1.34333158863755 73 0.010475153895357 74 0.010475153895357 75 -0.020950307790714 76 0.0 77 0.0 78 0.0 79 -0.18752519202345 80 -0.18752519202346 81 0.37505038404691 82 0.0 83 0.0 84 0.0 85 -0.41260285831461 86 -0.41260285831460 87 0.82520571662921 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.13840446147199 94 0.0 95 0.0 96 -0.092844535272187 97 0.0 98 0.0 99 -0.092844535272187 100 0.0 101 0.0 102 0.0 103 -0.73594737479954 104 0.0 105 0.0 106 0.49368850737429 107 0.0 108 0.0 109 0.49368850737429 110 0.0 111 0.10111757632487 112 0.39142003925179 113 0.093692773857704 114 1.47195907440497 115 -3.67944062697751 116 0.0 117 0.0 118 -0.72389505104676 119 0.0 120 0.0 121 -0.11844751048046 122 0.0 123 0.0 124 3.18788539738128 125 0.0 126 0.0 127 0.18809090787459 128 -0.007820005043233 129 -0.007820005043233 130 0.015640010086467 131 0.0 132 0.0 133 0.0 134 0.26638859905234 135 0.26638859905234 136 -0.53277719810469 137 0.0 138 0.0 139 0.0 140 0.73100503675705 141 0.73100503675705 142 -1.46201007351410 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.033869448084876 149 0.0 150 0.0 151 -0.022720316483455 152 0.0 153 0.0 154 -0.022720316483455 155 0.0 156 0.0 157 0.0 158 0.25679304658547 159 0.0 160 0.0 161 -0.17226201249431 162 0.0 163 0.0 164 -0.17226201249431 165 0.0 Sym= 4.4 Ene= 1.3007 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.002763670823322 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 0.58154874539008 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 -0.16390501525527 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.018208764843896 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.20129846653215 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.012138603652301 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.75595649576803 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.67663714197281 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.010716937565488 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.10390144042514 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.001949338840323 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 0.082304740109697 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.12159487336247 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 0.008403877225340 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 -0.068223205337641 Sym= 25.1 Ene= 1.3007 Spin= Alpha Occup= 0.000000 1 0.000000000000000 2 0.000000000000002 3 0.000000000000001 4 -0.000000000000000 5 0.000000000000011 6 0.0 7 0.0 8 0.000000000000001 9 0.0 10 0.0 11 -0.000000000000002 12 0.0 13 0.0 14 -0.000000000000003 15 0.0 16 0.0 17 0.000000000000001 18 0.002393409140854 19 -0.002393409140854 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 0.50363598704582 25 -0.50363598704582 26 -0.000000000000002 27 0.0 28 0.0 29 0.0 30 -0.14194590702391 31 0.14194590702392 32 -0.000000000000003 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000000 39 0.0 40 0.0 41 -0.015769252925712 42 0.0 43 0.0 44 0.015769252925713 45 0.0 46 0.0 47 0.0 48 -0.000000000000001 49 0.0 50 0.0 51 0.17432958575404 52 0.0 53 0.0 54 -0.17432958575404 55 0.0 56 -0.000000000000000 57 0.000000000000000 58 -0.000000000000000 59 -0.000000000000007 60 -0.000000000000027 61 0.0 62 0.0 63 0.000000000000001 64 0.0 65 0.0 66 -0.000000000000005 67 0.0 68 0.0 69 0.000000000000009 70 0.0 71 0.0 72 0.000000000000001 73 0.010512339129152 74 -0.010512339129152 75 0.000000000000000 76 0.0 77 0.0 78 0.0 79 0.65467752949083 80 -0.65467752949084 81 0.000000000000002 82 0.0 83 0.0 84 0.0 85 -0.58598495408751 86 0.58598495408751 87 0.000000000000001 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000000 94 0.0 95 0.0 96 0.009281140183021 97 0.0 98 0.0 99 -0.009281140183021 100 0.0 101 0.0 102 0.0 103 0.000000000000002 104 0.0 105 0.0 106 -0.089981286906384 107 0.0 108 0.0 109 0.089981286906382 110 0.0 111 -0.000000000000000 112 -0.000000000000000 113 -0.000000000000000 114 -0.000000000000006 115 0.000000000000023 116 0.0 117 0.0 118 0.000000000000002 119 0.0 120 0.0 121 0.000000000000002 122 0.0 123 0.0 124 -0.000000000000012 125 0.0 126 0.0 127 -0.000000000000006 128 0.001688176956286 129 -0.001688176956286 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 0.071277995786065 135 -0.071277995786065 136 -0.000000000000000 137 0.0 138 0.0 139 0.0 140 0.10530424930252 141 -0.10530424930252 142 0.000000000000006 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000000 149 0.0 150 0.0 151 0.007277971167710 152 0.0 153 0.0 154 -0.007277971167710 155 0.0 156 0.0 157 0.0 158 -0.000000000000000 159 0.0 160 0.0 161 -0.059083028952775 162 0.0 163 0.0 164 0.059083028952776 165 0.0 Sym= 12.3 Ene= 1.3382 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.000000000002841 8 0.0 9 0.0 10 0.000000000002366 11 0.0 12 0.0 13 0.000000000012801 14 0.0 15 0.0 16 0.000000000002922 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.000000000000224 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.000000000002055 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.000000000002644 36 0.0 37 0.052131866558400 38 0.0 39 0.0 40 -0.069942238451577 41 0.0 42 0.0 43 0.000000000000458 44 0.0 45 0.0 46 0.0 47 -0.42626161959279 48 0.0 49 0.0 50 0.57188997457136 51 0.0 52 0.0 53 -0.000000000006179 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.000000000000169 63 0.0 64 0.0 65 -0.000000000000016 66 0.0 67 0.0 68 -0.000000000030427 69 0.0 70 0.0 71 -0.000000000005516 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.000000000000150 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.000000000009180 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.000000000000743 91 0.0 92 0.059203257942952 93 0.0 94 0.0 95 -0.079429505549985 96 0.0 97 0.0 98 0.000000000000048 99 0.0 100 0.0 101 0.0 102 -0.54032435858006 103 0.0 104 0.0 105 0.72492119741784 106 0.0 107 0.0 108 -0.000000000007442 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.000000000003188 118 0.0 119 0.0 120 -0.000000000002375 121 0.0 122 0.0 123 0.000000000020343 124 0.0 125 0.0 126 0.000000000003839 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.000000000000193 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.000000000002153 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.000000000013546 146 0.0 147 0.006907872084655 148 0.0 149 0.0 150 -0.009267882936590 151 0.0 152 0.0 153 -0.000000000000107 154 0.0 155 0.0 156 0.0 157 -0.042644585822815 158 0.0 159 0.0 160 0.057213715660865 161 0.0 162 0.0 163 0.000000000002417 164 0.0 165 0.0 Sym= 12.2 Ene= 1.3382 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.000000000002837 7 0.0 8 0.0 9 -0.000000000002373 10 0.0 11 0.0 12 -0.000000000012707 13 0.0 14 0.0 15 -0.000000000002910 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.000000000000224 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.000000000002054 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.000000000002613 35 0.0 36 -0.052131866558400 37 0.0 38 0.0 39 0.069942238451576 40 0.0 41 0.0 42 -0.000000000000458 43 0.0 44 0.0 45 0.0 46 0.42626161959279 47 0.0 48 0.0 49 -0.57188997457136 50 0.0 51 0.0 52 0.000000000006184 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.000000000000175 62 0.0 63 0.0 64 0.000000000000021 65 0.0 66 0.0 67 0.000000000030427 68 0.0 69 0.0 70 0.000000000005503 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000000000000150 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.000000000009194 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.000000000000647 90 0.0 91 -0.059203257942952 92 0.0 93 0.0 94 0.079429505549986 95 0.0 96 0.0 97 -0.000000000000048 98 0.0 99 0.0 100 0.0 101 0.54032435858006 102 0.0 103 0.0 104 -0.72492119741784 105 0.0 106 0.0 107 0.000000000007455 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.000000000003180 117 0.0 118 0.0 119 0.000000000002380 120 0.0 121 0.0 122 -0.000000000020451 123 0.0 124 0.0 125 -0.000000000003844 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.000000000000193 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.000000000002157 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.000000000013586 145 0.0 146 -0.006907872084656 147 0.0 148 0.0 149 0.009267882936591 150 0.0 151 0.0 152 0.000000000000107 153 0.0 154 0.0 155 0.0 156 0.042644585822820 157 0.0 158 0.0 159 -0.057213715660867 160 0.0 161 0.0 162 -0.000000000002422 163 0.0 164 0.0 165 0.0 Sym= 13.2 Ene= 1.3788 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.21728176109510 7 0.0 8 0.0 9 0.53889097469960 10 0.0 11 0.0 12 -6.07676665395069 13 0.0 14 0.0 15 -0.97139474240474 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.026681615855622 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.013796137811864 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -2.10745618355721 35 0.0 36 -0.008481051404199 37 0.0 38 0.0 39 -0.003792841492341 40 0.0 41 0.0 42 0.015171365968617 43 0.0 44 0.0 45 0.0 46 0.29865892720897 47 0.0 48 0.0 49 0.13356433266737 50 0.0 51 0.0 52 -0.53425733066322 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.39119436744540 62 0.0 63 0.0 64 -0.32211762981003 65 0.0 66 0.0 67 -0.56784610579225 68 0.0 69 0.0 70 1.04272894564561 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.037895395845815 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -1.07217997936988 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -6.47116901340705 90 0.0 91 -0.001056867875401 92 0.0 93 0.0 94 -0.000472645682495 95 0.0 96 0.0 97 0.001890582730075 98 0.0 99 0.0 100 0.0 101 0.52157575999310 102 0.0 103 0.0 104 0.23325577095189 105 0.0 106 0.0 107 -0.93302308380830 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.53840475888202 117 0.0 118 0.0 119 -0.33285100022476 120 0.0 121 0.0 122 7.63208820457295 123 0.0 124 0.0 125 0.32624131417192 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.033023332715905 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.32881792738241 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -2.84545584506305 145 0.0 146 0.007240555618648 147 0.0 148 0.0 149 0.003238074916209 150 0.0 151 0.0 152 -0.012952299651108 153 0.0 154 0.0 155 0.0 156 -0.20024176429038 157 0.0 158 0.0 159 -0.089550839395260 160 0.0 161 0.0 162 0.35820335752793 163 0.0 164 0.0 165 0.0 Sym= 13.3 Ene= 1.3788 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.21728176109490 8 0.0 9 0.0 10 0.53889097469944 11 0.0 12 0.0 13 -6.07676665394752 14 0.0 15 0.0 16 -0.97139474240487 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.026681615855608 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.013796137811327 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -2.10745618355626 36 0.0 37 -0.008481051404232 38 0.0 39 0.0 40 -0.003792841492357 41 0.0 42 0.0 43 0.015171365968676 44 0.0 45 0.0 46 0.0 47 0.29865892720914 48 0.0 49 0.0 50 0.13356433266746 51 0.0 52 0.0 53 -0.53425733066353 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.39119436744529 63 0.0 64 0.0 65 -0.32211762980959 66 0.0 67 0.0 68 -0.56784610579581 69 0.0 70 0.0 71 1.04272894564575 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.037895395845801 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -1.07217997936959 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -6.47116901340591 91 0.0 92 -0.001056867875393 93 0.0 94 0.0 95 -0.000472645682493 96 0.0 97 0.0 98 0.001890582730062 99 0.0 100 0.0 101 0.0 102 0.52157575999314 103 0.0 104 0.0 105 0.23325577095192 106 0.0 107 0.0 108 -0.93302308380839 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.53840475888197 118 0.0 119 0.0 120 -0.33285100022478 121 0.0 122 0.0 123 7.63208820457308 124 0.0 125 0.0 126 0.32624131417202 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.033023332715889 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.32881792738235 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -2.84545584506349 146 0.0 147 0.007240555618639 148 0.0 149 0.0 150 0.003238074916205 151 0.0 152 0.0 153 -0.012952299651093 154 0.0 155 0.0 156 0.0 157 -0.20024176429028 158 0.0 159 0.0 160 -0.089550839395215 161 0.0 162 0.0 163 0.35820335752775 164 0.0 165 0.0 Sym= 26.1 Ene= 1.4179 Spin= Alpha Occup= 0.000000 1 -0.11783498841426 2 -0.74614179983649 3 0.16554441402932 4 -0.99853457714508 5 -5.04763522602239 6 0.0 7 0.0 8 -0.085577511069757 9 0.0 10 0.0 11 -0.59470289918376 12 0.0 13 0.0 14 -0.097144995272277 15 0.0 16 0.0 17 -0.43413750443446 18 0.008274823760056 19 0.008274823760056 20 -0.016549647520112 21 0.0 22 0.0 23 0.0 24 0.48081245296495 25 0.48081245296495 26 -0.96162490592990 27 0.0 28 0.0 29 0.0 30 -0.089043215482425 31 -0.089043215482444 32 0.17808643096487 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.047633265438137 39 0.0 40 0.0 41 0.031953365852989 42 0.0 43 0.0 44 0.031953365852991 45 0.0 46 0.0 47 0.0 48 -0.34471885344619 49 0.0 50 0.0 51 0.23124443682945 52 0.0 53 0.0 54 0.23124443682943 55 0.0 56 -0.27062782466221 57 -1.43673049884228 58 -0.10989429412464 59 3.17347572192052 60 6.02456740183150 61 0.0 62 0.0 63 -0.19634921266274 64 0.0 65 0.0 66 -1.21272606444957 67 0.0 68 0.0 69 3.92408352698447 70 0.0 71 0.0 72 -1.85740369151359 73 0.002882634587724 74 0.002882634587724 75 -0.005765269175449 76 0.0 77 0.0 78 0.0 79 -0.065677893968419 80 -0.065677893968422 81 0.13135578793684 82 0.0 83 0.0 84 0.0 85 -1.66611131367563 86 -1.66611131367561 87 3.33222262735124 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.056786596885733 94 0.0 95 0.0 96 0.038093607254212 97 0.0 98 0.0 99 0.038093607254214 100 0.0 101 0.0 102 0.0 103 0.80483282503578 104 0.0 105 0.0 106 -0.53989827219094 107 0.0 108 0.0 109 -0.53989827219097 110 0.0 111 -0.048526670941564 112 0.056098448980569 113 -0.021664918578351 114 -5.92393950789919 115 0.99821034859330 116 0.0 117 0.0 118 -0.10144981830059 119 0.0 120 0.0 121 0.49000436568953 122 0.0 123 0.0 124 -1.37001209648874 125 0.0 126 0.0 127 -0.30225653870359 128 0.007399195140170 129 0.007399195140169 130 -0.014798390280339 131 0.0 132 0.0 133 0.0 134 0.061120516601254 135 0.061120516601253 136 -0.12224103320251 137 0.0 138 0.0 139 0.0 140 -0.80150233389731 141 -0.80150233389730 142 1.60300466779460 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.001103003509016 149 0.0 150 0.0 151 -0.000739917247675 152 0.0 153 0.0 154 -0.000739917247674 155 0.0 156 0.0 157 0.0 158 -0.091843624388000 159 0.0 160 0.0 161 0.061610576229462 162 0.0 163 0.0 164 0.061610576229454 165 0.0 Sym= 27.1 Ene= 1.4754 Spin= Alpha Occup= 0.000000 1 0.000000000000002 2 0.000000000000016 3 -0.000000000000001 4 -0.000000000000229 5 -0.000000000000008 6 0.0 7 0.0 8 0.000000000000005 9 0.0 10 0.0 11 -0.000000000000009 12 0.0 13 0.0 14 -0.000000000000113 15 0.0 16 0.0 17 -0.000000000000009 18 -0.027835163615083 19 0.027835163615083 20 0.000000000000000 21 0.0 22 0.0 23 0.0 24 -0.18103601094498 25 0.18103601094498 26 0.000000000000000 27 0.0 28 0.0 29 0.0 30 0.89463763250570 31 -0.89463763250567 32 -0.000000000000027 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000000000000001 39 0.0 40 0.0 41 -0.043131381284831 42 0.0 43 0.0 44 0.043131381284830 45 0.0 46 0.0 47 0.0 48 -0.000000000000007 49 0.0 50 0.0 51 0.72703406430698 52 0.0 53 0.0 54 -0.72703406430697 55 0.0 56 0.000000000000004 57 0.000000000000015 58 0.000000000000001 59 0.000000000000169 60 -0.000000000000019 61 0.0 62 0.0 63 0.000000000000010 64 0.0 65 0.0 66 -0.000000000000007 67 0.0 68 0.0 69 -0.000000000000173 70 0.0 71 0.0 72 0.000000000000010 73 0.013792529714682 74 -0.013792529714682 75 -0.000000000000000 76 0.0 77 0.0 78 0.0 79 0.24011084907246 80 -0.24011084907247 81 0.000000000000008 82 0.0 83 0.0 84 0.0 85 -0.67183101712776 86 0.67183101712778 87 -0.000000000000018 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000000 94 0.0 95 0.0 96 -0.060571321078716 97 0.0 98 0.0 99 0.060571321078716 100 0.0 101 0.0 102 0.0 103 -0.000000000000016 104 0.0 105 0.0 106 1.14089786937602 107 0.0 108 0.0 109 -1.14089786937600 110 0.0 111 0.000000000000001 112 -0.000000000000002 113 -0.000000000000000 114 0.000000000000089 115 0.000000000000015 116 0.0 117 0.0 118 0.000000000000004 119 0.0 120 0.0 121 -0.000000000000005 122 0.0 123 0.0 124 -0.000000000000006 125 0.0 126 0.0 127 -0.000000000000003 128 0.019115415951640 129 -0.019115415951640 130 0.000000000000000 131 0.0 132 0.0 133 0.0 134 0.059996026675135 135 -0.059996026675138 136 0.000000000000003 137 0.0 138 0.0 139 0.0 140 -0.38334234876632 141 0.38334234876633 142 -0.000000000000014 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000000 149 0.0 150 0.0 151 -0.019453380241118 152 0.0 153 0.0 154 0.019453380241118 155 0.0 156 0.0 157 0.0 158 -0.000000000000001 159 0.0 160 0.0 161 0.18588203118703 162 0.0 163 0.0 164 -0.18588203118703 165 0.0 Sym= 5.4 Ene= 1.4754 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 -0.032141278412022 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.20904237931320 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 1.03303855590472 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.049803829189421 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.83950662546075 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.015926241486152 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.27725612669821 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.77576363716977 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.069941737059180 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 1.31739538399504 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.022072581090468 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 0.069277444309225 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 -0.44264561650516 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.022462828637532 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.21463808148578 Sym= 14.2 Ene= 1.5249 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.30692565888276 7 0.0 8 0.0 9 0.20518279232366 10 0.0 11 0.0 12 -2.24397766577064 13 0.0 14 0.0 15 0.24248686570856 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.026856656424320 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.58870867954022 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.15332736499258 35 0.0 36 0.027300755789719 37 0.0 38 0.0 39 0.012209269155954 40 0.0 41 0.0 42 -0.048837076625713 43 0.0 44 0.0 45 0.0 46 -0.34845600155740 47 0.0 48 0.0 49 -0.15583426132537 50 0.0 51 0.0 52 0.62333704531544 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.045778535197040 62 0.0 63 0.0 64 -0.18289688012426 65 0.0 66 0.0 67 1.28813260350990 68 0.0 69 0.0 70 -0.32309604460659 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.019903492860470 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.98515512416916 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -2.10703942599750 90 0.0 91 -0.007255026650066 92 0.0 93 0.0 94 -0.003244546554149 95 0.0 96 0.0 97 0.012978186215021 98 0.0 99 0.0 100 0.0 101 -0.13818570618702 102 0.0 103 0.0 104 -0.061798526505004 105 0.0 106 0.0 107 0.24719410603680 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.29722957004631 117 0.0 118 0.0 119 -0.29744731543521 120 0.0 121 0.0 122 0.80045003407631 123 0.0 124 0.0 125 0.23477852735778 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.017386188328943 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.027402735353674 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.43843668537213 145 0.0 146 0.000137981382494 147 0.0 148 0.0 149 0.000061707151828 150 0.0 151 0.0 152 -0.000246828602359 153 0.0 154 0.0 155 0.0 156 0.058795152329546 157 0.0 158 0.0 159 0.026293991465698 160 0.0 161 0.0 162 -0.10517596587949 163 0.0 164 0.0 165 0.0 Sym= 14.3 Ene= 1.5249 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.30692565888284 8 0.0 9 0.0 10 0.20518279232384 11 0.0 12 0.0 13 -2.24397766577225 14 0.0 15 0.0 16 0.24248686570834 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.026856656424316 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.58870867954010 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.15332736499205 36 0.0 37 0.027300755789707 38 0.0 39 0.0 40 0.012209269155949 41 0.0 42 0.0 43 -0.048837076625692 44 0.0 45 0.0 46 0.0 47 -0.34845600155730 48 0.0 49 0.0 50 -0.15583426132532 51 0.0 52 0.0 53 0.62333704531525 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.045778535196960 63 0.0 64 0.0 65 -0.18289688012434 66 0.0 67 0.0 68 1.28813260350935 69 0.0 70 0.0 71 -0.32309604460642 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.019903492860478 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.98515512416905 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -2.10703942599952 91 0.0 92 -0.007255026650063 93 0.0 94 0.0 95 -0.003244546554148 96 0.0 97 0.0 98 0.012978186215017 99 0.0 100 0.0 101 0.0 102 -0.13818570618687 103 0.0 104 0.0 105 -0.061798526504933 106 0.0 107 0.0 108 0.24719410603652 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.29722957004653 118 0.0 119 0.0 120 -0.29744731543532 121 0.0 122 0.0 123 0.80045003407874 124 0.0 125 0.0 126 0.23477852735799 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.017386188328940 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.027402735353741 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.43843668537123 146 0.0 147 0.000137981382493 148 0.0 149 0.0 150 0.000061707151827 151 0.0 152 0.0 153 -0.000246828602357 154 0.0 155 0.0 156 0.0 157 0.058795152329528 158 0.0 159 0.0 160 0.026293991465689 161 0.0 162 0.0 163 -0.10517596587946 164 0.0 165 0.0 Sym= 28.1 Ene= 1.5938 Spin= Alpha Occup= 0.000000 1 -0.12574876135848 2 -1.09917057766699 3 -0.11273137421551 4 43.9020163235829 5 14.3189500823709 6 0.0 7 0.0 8 -0.47137728310863 9 0.0 10 0.0 11 2.47993271752052 12 0.0 13 0.0 14 20.6624182847985 15 0.0 16 0.0 17 2.95035386159070 18 -0.021437002076531 19 -0.021437002076531 20 0.042874004153062 21 0.0 22 0.0 23 0.0 24 -0.64524718752763 25 -0.64524718752763 26 1.29049437505526 27 0.0 28 0.0 29 0.0 30 -1.93259944965975 31 -1.93259944965977 32 3.86519889931952 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.073536826120935 39 0.0 40 0.0 41 -0.049330002616798 42 0.0 43 0.0 44 -0.049330002616797 45 0.0 46 0.0 47 0.0 48 0.59871444794753 49 0.0 50 0.0 51 -0.40162986141658 52 0.0 53 0.0 54 -0.40162986141659 55 0.0 56 0.11381212995644 57 0.82015737883542 58 0.25629143472094 59 -42.8964572024690 60 -14.5547687390204 61 0.0 62 0.0 63 -0.54342052335034 64 0.0 65 0.0 66 1.89381749723523 67 0.0 68 0.0 69 22.7722109351977 70 0.0 71 0.0 72 1.95003695314877 73 0.000784046752375 74 0.000784046752374 75 -0.001568093504750 76 0.0 77 0.0 78 0.0 79 0.93623504357058 80 0.93623504357058 81 -1.87247008714116 82 0.0 83 0.0 84 0.0 85 1.71574705306237 86 1.71574705306239 87 -3.43149410612477 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.065993006288924 94 0.0 95 0.0 96 -0.044269454430481 97 0.0 98 0.0 99 -0.044269454430481 100 0.0 101 0.0 102 0.0 103 0.93799458220290 104 0.0 105 0.0 106 -0.62922589449966 107 0.0 108 0.0 109 -0.62922589449967 110 0.0 111 -0.028187939844312 112 -0.039677013436084 113 -0.013114977393753 114 -1.35246413634538 115 0.35863795394658 116 0.0 117 0.0 118 -0.19868436950615 119 0.0 120 0.0 121 -0.30484137750786 122 0.0 123 0.0 124 0.15521571775988 125 0.0 126 0.0 127 0.083263203090019 128 0.000425173579106 129 0.000425173579106 130 -0.000850347158211 131 0.0 132 0.0 133 0.0 134 -0.059672984468934 135 -0.059672984468938 136 0.11934596893787 137 0.0 138 0.0 139 0.0 140 -0.20810553417023 141 -0.20810553417023 142 0.41621106834046 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.003972767649875 149 0.0 150 0.0 151 -0.002665013557179 152 0.0 153 0.0 154 -0.002665013557180 155 0.0 156 0.0 157 0.0 158 0.058715709560340 159 0.0 160 0.0 161 -0.039387695377217 162 0.0 163 0.0 164 -0.039387695377216 165 0.0 Sym= 15.3 Ene= 1.6595 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.000000000002007 8 0.0 9 0.0 10 -0.000000000019979 11 0.0 12 0.0 13 0.000000000009273 14 0.0 15 0.0 16 0.000000000002348 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.000000000000327 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.000000000016937 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.000000000001077 36 0.0 37 0.072760311103381 38 0.0 39 0.0 40 -0.097618201014003 41 0.0 42 0.0 43 -0.000000000000713 44 0.0 45 0.0 46 0.0 47 -0.78462183738309 48 0.0 49 0.0 50 1.05268065902089 51 0.0 52 0.0 53 -0.000000000009265 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.000000000003527 63 0.0 64 0.0 65 0.000000000016128 66 0.0 67 0.0 68 0.000000000046343 69 0.0 70 0.0 71 -0.000000000001236 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.000000000000374 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.000000000006894 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.000000000037314 91 0.0 92 -0.054894227991080 93 0.0 94 0.0 95 0.073648335215821 96 0.0 97 0.0 98 0.000000000000434 99 0.0 100 0.0 101 0.0 102 0.64321708049052 103 0.0 104 0.0 105 -0.86296626978502 106 0.0 107 0.0 108 0.000000000025567 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.000000000001981 118 0.0 119 0.0 120 -0.000000000003470 121 0.0 122 0.0 123 -0.000000000057477 124 0.0 125 0.0 126 -0.000000000006220 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.000000000000321 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.000000000004598 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.000000000021728 146 0.0 147 -0.025621158842660 148 0.0 149 0.0 150 0.034374391700611 151 0.0 152 0.0 153 0.000000000000094 154 0.0 155 0.0 156 0.0 157 0.18644388988591 158 0.0 159 0.0 160 -0.25014072706179 161 0.0 162 0.0 163 -0.000000000002836 164 0.0 165 0.0 Sym= 15.2 Ene= 1.6595 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.000000000002007 7 0.0 8 0.0 9 0.000000000019984 10 0.0 11 0.0 12 -0.000000000009264 13 0.0 14 0.0 15 -0.000000000002348 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.000000000000327 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.000000000016942 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.000000000001071 35 0.0 36 -0.072760311103381 37 0.0 38 0.0 39 0.097618201014003 40 0.0 41 0.0 42 0.000000000000713 43 0.0 44 0.0 45 0.0 46 0.78462183738309 47 0.0 48 0.0 49 -1.05268065902089 50 0.0 51 0.0 52 0.000000000009271 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.000000000003528 62 0.0 63 0.0 64 -0.000000000016132 65 0.0 66 0.0 67 -0.000000000046376 68 0.0 69 0.0 70 0.000000000001236 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000000000000375 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.000000000006894 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.000000000037322 90 0.0 91 0.054894227991080 92 0.0 93 0.0 94 -0.073648335215822 95 0.0 96 0.0 97 -0.000000000000434 98 0.0 99 0.0 100 0.0 101 -0.64321708049051 102 0.0 103 0.0 104 0.86296626978502 105 0.0 106 0.0 107 -0.000000000025576 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.000000000001981 117 0.0 118 0.0 119 0.000000000003470 120 0.0 121 0.0 122 0.000000000057500 123 0.0 124 0.0 125 0.000000000006222 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.000000000000321 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.000000000004597 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.000000000021739 145 0.0 146 0.025621158842660 147 0.0 148 0.0 149 -0.034374391700611 150 0.0 151 0.0 152 -0.000000000000094 153 0.0 154 0.0 155 0.0 156 -0.18644388988591 157 0.0 158 0.0 159 0.25014072706179 160 0.0 161 0.0 162 0.000000000002837 163 0.0 164 0.0 165 0.0 Sym= 29.1 Ene= 1.7678 Spin= Alpha Occup= 0.000000 1 0.000000000000001 2 0.000000000000005 3 0.000000000000000 4 -0.000000000000153 5 -0.000000000000051 6 0.0 7 0.0 8 0.000000000000000 9 0.0 10 0.0 11 -0.000000000000011 12 0.0 13 0.0 14 -0.000000000000076 15 0.0 16 0.0 17 -0.000000000000012 18 0.002362759717406 19 -0.002362759717406 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 -0.27150581375764 25 0.27150581375764 26 -0.000000000000004 27 0.0 28 0.0 29 0.0 30 0.56547388728385 31 -0.56547388728383 32 -0.000000000000018 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000000 39 0.0 40 0.0 41 -0.079620886661788 42 0.0 43 0.0 44 0.079620886661788 45 0.0 46 0.0 47 0.0 48 -0.000000000000003 49 0.0 50 0.0 51 0.94411488181953 52 0.0 53 0.0 54 -0.94411488181953 55 0.0 56 -0.000000000000000 57 0.000000000000000 58 -0.000000000000002 59 0.000000000000214 60 0.000000000000062 61 0.0 62 0.0 63 0.000000000000004 64 0.0 65 0.0 66 -0.000000000000004 67 0.0 68 0.0 69 -0.000000000000039 70 0.0 71 0.0 72 -0.000000000000004 73 0.014923524923305 74 -0.014923524923304 75 -0.000000000000001 76 0.0 77 0.0 78 0.0 79 -0.38861487114709 80 0.38861487114707 81 0.000000000000018 82 0.0 83 0.0 84 0.0 85 -0.63174408646011 86 0.63174408646009 87 0.000000000000016 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000000 94 0.0 95 0.0 96 0.036927935774523 97 0.0 98 0.0 99 -0.036927935774523 100 0.0 101 0.0 102 0.0 103 0.000000000000002 104 0.0 105 0.0 106 -0.27191824256072 107 0.0 108 0.0 109 0.27191824256072 110 0.0 111 0.000000000000001 112 0.000000000000003 113 0.000000000000000 114 -0.000000000000057 115 -0.000000000000022 116 0.0 117 0.0 118 0.000000000000000 119 0.0 120 0.0 121 0.000000000000007 122 0.0 123 0.0 124 0.000000000000026 125 0.0 126 0.0 127 0.000000000000004 128 -0.000233116893242 129 0.000233116893242 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 -0.15071242121997 135 0.15071242121997 136 -0.000000000000002 137 0.0 138 0.0 139 0.0 140 0.52311916587411 141 -0.52311916587410 142 -0.000000000000005 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000000 149 0.0 150 0.0 151 -0.014899808666973 152 0.0 153 0.0 154 0.014899808666972 155 0.0 156 0.0 157 0.0 158 -0.000000000000002 159 0.0 160 0.0 161 0.14161769364767 162 0.0 163 0.0 164 -0.14161769364767 165 0.0 Sym= 6.4 Ene= 1.7678 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.002728279918290 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.31350790933267 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.65295300208939 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.091938280693848 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 1.09016996232088 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.017232202263016 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 -0.44873380092514 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.72947523675661 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.042640707321064 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.31398414108910 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 -0.000269180202484 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.17402771391474 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.60404598247198 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.017204817089733 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.16352602710142 Sym= 16.2 Ene= 1.8841 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.23369691597141 7 0.0 8 0.0 9 0.39001194669382 10 0.0 11 0.0 12 3.23634679327193 13 0.0 14 0.0 15 0.88036887928860 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.016909814802347 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.36584145921414 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 2.13270802283412 35 0.0 36 0.045126209503252 37 0.0 38 0.0 39 0.020181054402356 40 0.0 41 0.0 42 -0.080724217612056 43 0.0 44 0.0 45 0.0 46 -0.85331921141959 47 0.0 48 0.0 49 -0.38161595264551 50 0.0 51 0.0 52 1.52646381058994 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.037822123877948 62 0.0 63 0.0 64 -0.92079297915523 65 0.0 66 0.0 67 -6.19034997458820 68 0.0 69 0.0 70 -1.23024413409964 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.050706347440214 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.22857068415988 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.31753287797802 90 0.0 91 -0.005468507736429 92 0.0 93 0.0 94 -0.002445591005966 95 0.0 96 0.0 97 0.009782364026449 98 0.0 99 0.0 100 0.0 101 0.50721814191624 102 0.0 103 0.0 104 0.22683484895213 105 0.0 106 0.0 107 -0.90733939579964 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.10641401542534 117 0.0 118 0.0 119 0.10561513544399 120 0.0 121 0.0 122 2.78641865357070 123 0.0 124 0.0 125 0.84779832961270 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.026171059934606 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.23423808589609 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -1.79921365706865 145 0.0 146 0.014315335650952 147 0.0 148 0.0 149 0.006402012727990 150 0.0 151 0.0 152 -0.025608050909743 153 0.0 154 0.0 155 0.0 156 -0.10108228226737 157 0.0 158 0.0 159 -0.045205370908286 160 0.0 161 0.0 162 0.18082148359068 163 0.0 164 0.0 165 0.0 Sym= 16.3 Ene= 1.8841 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.23369691597140 8 0.0 9 0.0 10 0.39001194669453 11 0.0 12 0.0 13 3.23634679327089 14 0.0 15 0.0 16 0.88036887928790 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.016909814802359 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.36584145921479 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 2.13270802283361 36 0.0 37 0.045126209503232 38 0.0 39 0.0 40 0.020181054402347 41 0.0 42 0.0 43 -0.080724217612022 44 0.0 45 0.0 46 0.0 47 -0.85331921141970 48 0.0 49 0.0 50 -0.38161595264556 51 0.0 52 0.0 53 1.52646381059014 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.037822123878336 63 0.0 64 0.0 65 -0.92079297915537 66 0.0 67 0.0 68 -6.19034997458852 69 0.0 70 0.0 71 -1.23024413409864 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.050706347440230 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.22857068415934 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -0.31753287797955 91 0.0 92 -0.005468507736420 93 0.0 94 0.0 95 -0.002445591005962 96 0.0 97 0.0 98 0.009782364026432 99 0.0 100 0.0 101 0.0 102 0.50721814191659 103 0.0 104 0.0 105 0.22683484895229 106 0.0 107 0.0 108 -0.90733939580027 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.10641401542534 118 0.0 119 0.0 120 0.10561513544385 121 0.0 122 0.0 123 2.78641865357232 124 0.0 125 0.0 126 0.84779832961242 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.026171059934609 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.23423808589595 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -1.79921365706896 146 0.0 147 0.014315335650945 148 0.0 149 0.0 150 0.006402012727987 151 0.0 152 0.0 153 -0.025608050909730 154 0.0 155 0.0 156 0.0 157 -0.10108228226731 158 0.0 159 0.0 160 -0.045205370908259 161 0.0 162 0.0 163 0.18082148359058 164 0.0 165 0.0 Sym= 30.1 Ene= 1.9085 Spin= Alpha Occup= 0.000000 1 -0.26641966172237 2 -1.05656217519241 3 -0.34173236341840 4 12.4645690502476 5 6.67788591635485 6 0.0 7 0.0 8 0.12745755514903 9 0.0 10 0.0 11 1.62117982672044 12 0.0 13 0.0 14 7.30004970400751 15 0.0 16 0.0 17 1.29168004689590 18 -0.026853480937287 19 -0.026853480937288 20 0.053706961874575 21 0.0 22 0.0 23 0.0 24 -0.53601578748784 25 -0.53601578748783 26 1.07203157497568 27 0.0 28 0.0 29 0.0 30 -0.92494018772978 31 -0.92494018772978 32 1.84988037545957 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.12542845935119 39 0.0 40 0.0 41 -0.084139968426697 42 0.0 43 0.0 44 -0.084139968426697 45 0.0 46 0.0 47 0.0 48 -0.13401482481728 49 0.0 50 0.0 51 0.089899877485247 52 0.0 53 0.0 54 0.089899877485247 55 0.0 56 0.009042583932497 57 -0.019014795533377 58 0.30771218650111 59 -29.3861500787468 60 -11.2866422548350 61 0.0 62 0.0 63 -0.28048235865582 64 0.0 65 0.0 66 1.34678611163724 67 0.0 68 0.0 69 -6.78031319026451 70 0.0 71 0.0 72 0.33389889820684 73 -0.009909192461906 74 -0.009909192461906 75 0.019818384923812 76 0.0 77 0.0 78 0.0 79 1.16523869930131 80 1.16523869930131 81 -2.33047739860263 82 0.0 83 0.0 84 0.0 85 1.41038236448331 86 1.41038236448331 87 -2.82076472896662 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.11942581631563 94 0.0 95 0.0 96 -0.080113273065043 97 0.0 98 0.0 99 -0.080113273065043 100 0.0 101 0.0 102 0.0 103 -1.74464172573874 104 0.0 105 0.0 106 1.17034124854031 107 0.0 108 0.0 109 1.17034124854032 110 0.0 111 -0.18589077352277 112 -1.12872784110445 113 0.002692295191657 114 17.0866390870001 115 7.69996574276692 116 0.0 117 0.0 118 0.21023964569731 119 0.0 120 0.0 121 -1.03940233558398 122 0.0 123 0.0 124 -6.79514269353102 125 0.0 126 0.0 127 -1.52461289878388 128 0.001610608262222 129 0.001610608262223 130 -0.003221216524445 131 0.0 132 0.0 133 0.0 134 0.066933430588635 135 0.066933430588631 136 -0.13386686117727 137 0.0 138 0.0 139 0.0 140 -0.50747038090967 141 -0.50747038090967 142 1.01494076181935 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.007747807103699 149 0.0 150 0.0 151 -0.005197387008129 152 0.0 153 0.0 154 -0.005197387008127 155 0.0 156 0.0 157 0.0 158 0.21179142221531 159 0.0 160 0.0 161 -0.14207400513744 162 0.0 163 0.0 164 -0.14207400513744 165 0.0 Sym= 31.1 Ene= 1.9221 Spin= Alpha Occup= 0.000000 1 -0.071673151297893 2 -0.11832826611895 3 0.019709315217046 4 -27.7088667515454 5 -11.5407337137416 6 0.0 7 0.0 8 -0.28836121196678 9 0.0 10 0.0 11 -1.33999686940255 12 0.0 13 0.0 14 -11.7580988619070 15 0.0 16 0.0 17 -1.47944047580916 18 0.017677641516551 19 0.017677641516551 20 -0.035355283033102 21 0.0 22 0.0 23 0.0 24 0.52972045314954 25 0.52972045314956 26 -1.05944090629911 27 0.0 28 0.0 29 0.0 30 0.18645122836929 31 0.18645122836929 32 -0.37290245673858 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.14439644288697 39 0.0 40 0.0 41 0.096864078601331 42 0.0 43 0.0 44 0.096864078601331 45 0.0 46 0.0 47 0.0 48 1.39850532716782 49 0.0 50 0.0 51 -0.93814589353285 52 0.0 53 0.0 54 -0.93814589353284 55 0.0 56 -0.15878952974699 57 -0.54203195733207 58 -0.33192894465415 59 24.9624424412369 60 12.0193721144550 61 0.0 62 0.0 63 -0.40721080021773 64 0.0 65 0.0 66 -0.082034210392018 67 0.0 68 0.0 69 -18.8972236113410 70 0.0 71 0.0 72 -3.18081465290447 73 -0.001252010220033 74 -0.001252010220032 75 0.002504020440065 76 0.0 77 0.0 78 0.0 79 -0.55253683432016 80 -0.55253683432018 81 1.10507366864035 82 0.0 83 0.0 84 0.0 85 -0.42422075752682 86 -0.42422075752681 87 0.84844151505363 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.035043395668195 94 0.0 95 0.0 96 0.023507824462952 97 0.0 98 0.0 99 0.023507824462951 100 0.0 101 0.0 102 0.0 103 -0.52349233296863 104 0.0 105 0.0 106 0.35116933266534 107 0.0 108 0.0 109 0.35116933266536 110 0.0 111 -0.001441151193530 112 0.006395181434166 113 0.035983171868036 114 4.36395564242027 115 -0.70234905396884 116 0.0 117 0.0 118 -0.14874022771182 119 0.0 120 0.0 121 0.038068350641314 122 0.0 123 0.0 124 0.82966721687164 125 0.0 126 0.0 127 0.89012159034870 128 -0.003491778972803 129 -0.003491778972802 130 0.006983557945605 131 0.0 132 0.0 133 0.0 134 0.16403826934805 135 0.16403826934805 136 -0.32807653869609 137 0.0 138 0.0 139 0.0 140 0.61617694193927 141 0.61617694193927 142 -1.23235388387854 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.001774730782954 149 0.0 150 0.0 151 -0.001190525601733 152 0.0 153 0.0 154 -0.001190525601734 155 0.0 156 0.0 157 0.0 158 0.18359802825145 159 0.0 160 0.0 161 -0.12316130151155 162 0.0 163 0.0 164 -0.12316130151155 165 0.0 Sym= 7.4 Ene= 2.1460 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 -0.016865162454188 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 1.15956452329776 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 -0.10370928332177 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.034687498244159 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.88877024341259 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.006620780331106 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 -0.96519522562760 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 0.45645279440260 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.022660458643373 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 1.15586064283166 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.013433923744727 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 0.73238897040429 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 -0.96979325167661 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.052395629674244 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.45652608189432 Sym= 32.1 Ene= 2.1460 Spin= Alpha Occup= 0.000000 1 0.000000000000000 2 0.000000000000001 3 0.000000000000001 4 -0.000000000000215 5 -0.000000000000111 6 0.0 7 0.0 8 -0.000000000000005 9 0.0 10 0.0 11 -0.000000000000011 12 0.0 13 0.0 14 -0.000000000000108 15 0.0 16 0.0 17 -0.000000000000019 18 -0.014605659123537 19 0.014605659123537 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 1.00421233450284 25 -1.00421233450282 26 -0.000000000000017 27 0.0 28 0.0 29 0.0 30 -0.089814873965403 31 0.089814873965415 32 -0.000000000000013 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000001 39 0.0 40 0.0 41 -0.030040254673417 42 0.0 43 0.0 44 0.030040254673418 45 0.0 46 0.0 47 0.0 48 0.000000000000003 49 0.0 50 0.0 51 0.76969760892372 52 0.0 53 0.0 54 -0.76969760892373 55 0.0 56 0.000000000000001 57 0.000000000000006 58 -0.000000000000001 59 0.000000000000186 60 0.000000000000114 61 0.0 62 0.0 63 -0.000000000000002 64 0.0 65 0.0 66 -0.000000000000018 67 0.0 68 0.0 69 -0.000000000000131 70 0.0 71 0.0 72 -0.000000000000023 73 -0.005733763959198 74 0.005733763959198 75 -0.000000000000000 76 0.0 77 0.0 78 0.0 79 -0.83588358500517 80 0.83588358500516 81 0.000000000000007 82 0.0 83 0.0 84 0.0 85 0.39529971557977 86 -0.39529971557977 87 0.000000000000002 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000000 94 0.0 95 0.0 96 -0.019624532846444 97 0.0 98 0.0 99 0.019624532846444 100 0.0 101 0.0 102 0.0 103 -0.000000000000005 104 0.0 105 0.0 106 1.00100467992546 107 0.0 108 0.0 109 -1.00100467992546 110 0.0 111 -0.000000000000001 112 -0.000000000000002 113 -0.000000000000000 114 0.000000000000047 115 -0.000000000000011 116 0.0 117 0.0 118 -0.000000000000002 119 0.0 120 0.0 121 -0.000000000000003 122 0.0 123 0.0 124 -0.000000000000004 125 0.0 126 0.0 127 0.000000000000007 128 0.011634119235202 129 -0.011634119235202 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 0.63426745382255 135 -0.63426745382255 136 0.000000000000001 137 0.0 138 0.0 139 0.0 140 -0.83986559237026 141 0.83986559237027 142 -0.000000000000003 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000000 149 0.0 150 0.0 151 -0.045375946344796 152 0.0 153 0.0 154 0.045375946344795 155 0.0 156 0.0 157 0.0 158 -0.000000000000005 159 0.0 160 0.0 161 0.39536318440813 162 0.0 163 0.0 164 -0.39536318440812 165 0.0 Sym= 17.2 Ene= 2.2150 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.000000000028734 7 0.0 8 0.0 9 0.000000000012429 10 0.0 11 0.0 12 -0.000000000734097 13 0.0 14 0.0 15 -0.000000000017690 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.000000000001784 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.000000000326761 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.000000000306599 35 0.0 36 -0.019381405173070 37 0.0 38 0.0 39 0.026002883679041 40 0.0 41 0.0 42 0.000000000000830 43 0.0 44 0.0 45 0.0 46 0.29240405248673 47 0.0 48 0.0 49 -0.39230120261870 50 0.0 51 0.0 52 -0.000000000335340 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.000000000084235 62 0.0 63 0.0 64 0.000000000075171 65 0.0 66 0.0 67 0.000000000173465 68 0.0 69 0.0 70 -0.000000000017322 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.000000000013433 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.000000000414819 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.000000000405442 90 0.0 91 0.028051825712333 92 0.0 93 0.0 94 -0.037635473512160 95 0.0 96 0.0 97 0.000000000000708 98 0.0 99 0.0 100 0.0 101 -0.52973077631690 102 0.0 103 0.0 104 0.71070841549524 105 0.0 106 0.0 107 -0.000000000124236 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.000000000013696 117 0.0 118 0.0 119 0.000000000050237 120 0.0 121 0.0 122 0.000000000493801 123 0.0 124 0.0 125 0.000000000094824 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.000000000009833 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.000000000040738 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.000000000352191 145 0.0 146 -0.10015552282704 147 0.0 148 0.0 149 0.13437273443547 150 0.0 151 0.0 152 -0.000000000017484 153 0.0 154 0.0 155 0.0 156 0.88376550530234 157 0.0 158 0.0 159 -1.18569584784495 160 0.0 161 0.0 162 0.000000000229661 163 0.0 164 0.0 165 0.0 Sym= 17.3 Ene= 2.2150 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.000000000028741 8 0.0 9 0.0 10 -0.000000000012387 11 0.0 12 0.0 13 0.000000000734155 14 0.0 15 0.0 16 0.000000000017690 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.000000000001785 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.000000000326762 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.000000000306610 36 0.0 37 0.019381405173069 38 0.0 39 0.0 40 -0.026002883679041 41 0.0 42 0.0 43 -0.000000000000828 44 0.0 45 0.0 46 0.0 47 -0.29240405248671 48 0.0 49 0.0 50 0.39230120261871 51 0.0 52 0.0 53 0.000000000335301 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.000000000084243 63 0.0 64 0.0 65 -0.000000000075174 66 0.0 67 0.0 68 -0.000000000173664 69 0.0 70 0.0 71 0.000000000017327 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.000000000013431 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.000000000414777 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.000000000405442 91 0.0 92 -0.028051825712332 93 0.0 94 0.0 95 0.037635473512159 96 0.0 97 0.0 98 -0.000000000000709 99 0.0 100 0.0 101 0.0 102 0.52973077631696 103 0.0 104 0.0 105 -0.71070841549521 106 0.0 107 0.0 108 0.000000000124133 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.000000000013687 118 0.0 119 0.0 120 -0.000000000050208 121 0.0 122 0.0 123 -0.000000000493674 124 0.0 125 0.0 126 -0.000000000094818 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.000000000009831 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.000000000040752 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.000000000352112 146 0.0 147 0.10015552282705 148 0.0 149 0.0 150 -0.13437273443546 151 0.0 152 0.0 153 0.000000000017481 154 0.0 155 0.0 156 0.0 157 -0.88376550530237 158 0.0 159 0.0 160 1.18569584784494 161 0.0 162 0.0 163 -0.000000000229611 164 0.0 165 0.0 Sym= 18.2 Ene= 2.2237 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.11655124233855 7 0.0 8 0.0 9 -0.24108548447559 10 0.0 11 0.0 12 -4.60658716540427 13 0.0 14 0.0 15 -0.080665631514765 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.012061336697199 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -1.78498323341873 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -1.75310442928590 35 0.0 36 0.007693238677593 37 0.0 38 0.0 39 0.003440520923579 40 0.0 41 0.0 42 -0.013762083713715 43 0.0 44 0.0 45 0.0 46 0.85176247174352 47 0.0 48 0.0 49 0.38091975760859 50 0.0 51 0.0 52 -1.52367903010964 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.48825828349249 62 0.0 63 0.0 64 0.40107691555038 65 0.0 66 0.0 67 1.99898244496286 68 0.0 69 0.0 70 -0.18391489554748 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.056250164948132 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -1.97957038729434 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -2.60083280921656 90 0.0 91 -0.008575689392187 92 0.0 93 0.0 94 -0.003835164876600 95 0.0 96 0.0 97 0.015340659537513 98 0.0 99 0.0 100 0.0 101 0.030235922585864 102 0.0 103 0.0 104 0.013521915451836 105 0.0 106 0.0 107 -0.054087662410484 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.057659339255525 117 0.0 118 0.0 119 0.11444949229102 120 0.0 121 0.0 122 2.32245657891376 123 0.0 124 0.0 125 0.58251866169209 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.037819710984296 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.39805397997012 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -1.63279405671724 145 0.0 146 0.044041421891742 147 0.0 148 0.0 149 0.019695922598466 150 0.0 151 0.0 152 -0.078783690503875 153 0.0 154 0.0 155 0.0 156 -0.53075560953469 157 0.0 158 0.0 159 -0.23736112413352 160 0.0 161 0.0 162 0.94944449754887 163 0.0 164 0.0 165 0.0 Sym= 18.3 Ene= 2.2237 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.11655124233905 8 0.0 9 0.0 10 -0.24108548447909 11 0.0 12 0.0 13 -4.60658716541672 14 0.0 15 0.0 16 -0.080665631514475 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.012061336697298 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -1.78498323342253 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -1.75310442928948 36 0.0 37 0.007693238677710 38 0.0 39 0.0 40 0.003440520923632 41 0.0 42 0.0 43 -0.013762083713926 44 0.0 45 0.0 46 0.0 47 0.85176247174362 48 0.0 49 0.0 50 0.38091975760862 51 0.0 52 0.0 53 -1.52367903010981 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.48825828349393 63 0.0 64 0.0 65 0.40107691555114 66 0.0 67 0.0 68 1.99898244497733 69 0.0 70 0.0 71 -0.18391489554879 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.056250164948122 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -1.97957038729605 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -2.60083280922258 91 0.0 92 -0.008575689392242 93 0.0 94 0.0 95 -0.003835164876626 96 0.0 97 0.0 98 0.015340659537612 99 0.0 100 0.0 101 0.0 102 0.030235922582304 103 0.0 104 0.0 105 0.013521915450272 106 0.0 107 0.0 108 -0.054087662404144 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.057659339256218 118 0.0 119 0.0 120 0.11444949228936 121 0.0 122 0.0 123 2.32245657891208 124 0.0 125 0.0 126 0.58251866169332 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.037819710984219 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.39805397997179 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -1.63279405671638 146 0.0 147 0.044041421891724 148 0.0 149 0.0 150 0.019695922598464 151 0.0 152 0.0 153 -0.078783690503849 154 0.0 155 0.0 156 0.0 157 -0.53075560953405 158 0.0 159 0.0 160 -0.23736112413329 161 0.0 162 0.0 163 0.94944449754777 164 0.0 165 0.0 Sym= 19.3 Ene= 2.2413 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.31482402238401 8 0.0 9 0.0 10 -1.74654082352833 11 0.0 12 0.0 13 -6.83469593085303 14 0.0 15 0.0 16 0.012301060198255 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.052872485337238 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -1.96657400645699 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -2.17076071017378 36 0.0 37 0.055618236561035 38 0.0 39 0.0 40 0.024873231550628 41 0.0 42 0.0 43 -0.099492926194111 44 0.0 45 0.0 46 0.0 47 0.12376318919856 48 0.0 49 0.0 50 0.055348580805913 51 0.0 52 0.0 53 -0.22139432330200 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.76593469037678 63 0.0 64 0.0 65 0.43631294104442 66 0.0 67 0.0 68 8.58400403595078 69 0.0 70 0.0 71 -0.47403301710595 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.002510476678448 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.80122378305241 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -2.90217754950600 91 0.0 92 -0.028340382285760 93 0.0 94 0.0 95 -0.012674204263138 96 0.0 97 0.0 98 0.050696817042713 99 0.0 100 0.0 101 0.0 102 -1.90074220858884 103 0.0 104 0.0 105 -0.85003775718053 106 0.0 107 0.0 108 3.40015102884517 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.33725011215938 118 0.0 119 0.0 120 -0.85492139654708 121 0.0 122 0.0 123 -1.53608326629728 124 0.0 125 0.0 126 0.46421446789891 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.043561144028428 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.86126999308966 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.81402730762767 146 0.0 147 -0.010542551217521 148 0.0 149 0.0 150 -0.004714772226949 151 0.0 152 0.0 153 0.018859088934139 154 0.0 155 0.0 156 0.0 157 0.34163475088485 158 0.0 159 0.0 160 0.15278370523467 161 0.0 162 0.0 163 -0.61113482110751 164 0.0 165 0.0 Sym= 19.2 Ene= 2.2413 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.31482402238447 7 0.0 8 0.0 9 -1.74654082352830 10 0.0 11 0.0 12 -6.83469593086411 13 0.0 14 0.0 15 0.012301060197340 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.052872485337249 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -1.96657400646024 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -2.17076071017841 35 0.0 36 0.055618236561029 37 0.0 38 0.0 39 0.024873231550626 40 0.0 41 0.0 42 -0.099492926194101 43 0.0 44 0.0 45 0.0 46 0.12376318920032 47 0.0 48 0.0 49 0.055348580806683 50 0.0 51 0.0 52 -0.22139432330513 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.76593469037757 62 0.0 63 0.0 64 0.43631294104537 65 0.0 66 0.0 67 8.58400403595774 68 0.0 69 0.0 70 -0.47403301710530 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.002510476678357 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.80122378305563 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -2.90217754951182 90 0.0 91 -0.028340382285769 92 0.0 93 0.0 94 -0.012674204263144 95 0.0 96 0.0 97 0.050696817042731 98 0.0 99 0.0 100 0.0 101 -1.90074220858896 102 0.0 103 0.0 104 -0.85003775718055 105 0.0 106 0.0 107 3.40015102884535 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.33725011215944 117 0.0 118 0.0 119 -0.85492139654712 120 0.0 121 0.0 122 -1.53608326629352 123 0.0 124 0.0 125 0.46421446789958 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.043561144028368 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.86126999309065 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.81402730762514 145 0.0 146 -0.010542551217444 147 0.0 148 0.0 149 -0.004714772226909 150 0.0 151 0.0 152 0.018859088933996 153 0.0 154 0.0 155 0.0 156 0.34163475088398 157 0.0 158 0.0 159 0.15278370523423 160 0.0 161 0.0 162 -0.61113482110590 163 0.0 164 0.0 165 0.0 Sym= 33.1 Ene= 2.4235 Spin= Alpha Occup= 0.000000 1 -0.13668549810599 2 -0.56979203859261 3 -0.20618404250464 4 -5.09541420162491 5 -1.63340164966789 6 0.0 7 0.0 8 0.047027545433435 9 0.0 10 0.0 11 0.37510378172672 12 0.0 13 0.0 14 0.060404960948471 15 0.0 16 0.0 17 0.29044483960585 18 -0.019177842788132 19 -0.019177842788131 20 0.038355685576263 21 0.0 22 0.0 23 0.0 24 -0.49363008097206 25 -0.49363008097204 26 0.98726016194410 27 0.0 28 0.0 29 0.0 30 -0.46769977461596 31 -0.46769977461595 32 0.93539954923191 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.070619190323542 39 0.0 40 0.0 41 -0.047372793023830 42 0.0 43 0.0 44 -0.047372793023831 45 0.0 46 0.0 47 0.0 48 0.59790492547035 49 0.0 50 0.0 51 -0.40108681723010 52 0.0 53 0.0 54 -0.40108681723008 55 0.0 56 -0.081884360896656 57 -0.55259929970946 58 0.072428274193492 59 3.47718540371846 60 1.99411008962591 61 0.0 62 0.0 63 -0.71968377248980 64 0.0 65 0.0 66 2.51312288093357 67 0.0 68 0.0 69 -7.64104994091267 70 0.0 71 0.0 72 -1.56972837529389 73 -0.027553379573056 74 -0.027553379573056 75 0.055106759146112 76 0.0 77 0.0 78 0.0 79 0.18112086199048 80 0.18112086199046 81 -0.36224172398094 82 0.0 83 0.0 84 0.0 85 -0.32456496743150 86 -0.32456496743152 87 0.64912993486302 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.055599684797673 94 0.0 95 0.0 96 -0.037297402420546 97 0.0 98 0.0 99 -0.037297402420548 100 0.0 101 0.0 102 0.0 103 -0.60689396181563 104 0.0 105 0.0 106 0.40711684612616 107 0.0 108 0.0 109 0.40711684612618 110 0.0 111 0.26144969359187 112 1.03807223398971 113 0.080777735727962 114 1.43103138359653 115 -0.044369410849666 116 0.0 117 0.0 118 -0.18545865583598 119 0.0 120 0.0 121 -0.039328013258264 122 0.0 123 0.0 124 1.45793593025014 125 0.0 126 0.0 127 0.77184133759419 128 -0.018701565282193 129 -0.018701565282193 130 0.037403130564386 131 0.0 132 0.0 133 0.0 134 -0.23222693070846 135 -0.23222693070848 136 0.46445386141694 137 0.0 138 0.0 139 0.0 140 1.13079737706802 141 1.13079737706804 142 -2.26159475413606 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.079416297965691 149 0.0 150 0.0 151 0.053274072231798 152 0.0 153 0.0 154 0.053274072231800 155 0.0 156 0.0 157 0.0 158 1.30670543569250 159 0.0 160 0.0 161 -0.87656465423306 162 0.0 163 0.0 164 -0.87656465423309 165 0.0 Sym= 34.1 Ene= 2.4817 Spin= Alpha Occup= 0.000000 1 0.000000000000003 2 0.000000000000011 3 0.000000000000003 4 0.000000000000178 5 0.000000000000079 6 0.0 7 0.0 8 0.000000000000005 9 0.0 10 0.0 11 -0.000000000000003 12 0.0 13 0.0 14 0.000000000000048 15 0.0 16 0.0 17 0.000000000000003 18 -0.002422888749002 19 0.002422888749002 20 -0.000000000000001 21 0.0 22 0.0 23 0.0 24 -0.74169379000973 25 0.74169379000973 26 -0.000000000000005 27 0.0 28 0.0 29 0.0 30 -0.52765617044868 31 0.52765617044869 32 -0.000000000000010 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000001 39 0.0 40 0.0 41 0.045052212286807 42 0.0 43 0.0 44 -0.045052212286805 45 0.0 46 0.0 47 0.0 48 -0.000000000000008 49 0.0 50 0.0 51 -0.95779625644168 52 0.0 53 0.0 54 0.95779625644169 55 0.0 56 -0.000000000000001 57 -0.000000000000001 58 -0.000000000000003 59 -0.000000000000097 60 -0.000000000000072 61 0.0 62 0.0 63 0.000000000000014 64 0.0 65 0.0 66 -0.000000000000031 67 0.0 68 0.0 69 0.000000000000204 70 0.0 71 0.0 72 0.000000000000041 73 -0.005344116743644 74 0.005344116743644 75 -0.000000000000000 76 0.0 77 0.0 78 0.0 79 1.02281337248440 80 -1.02281337248441 81 0.000000000000004 82 0.0 83 0.0 84 0.0 85 0.71977427802521 86 -0.71977427802521 87 -0.000000000000007 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000000 94 0.0 95 0.0 96 0.053427469545189 97 0.0 98 0.0 99 -0.053427469545189 100 0.0 101 0.0 102 0.0 103 0.000000000000013 104 0.0 105 0.0 106 -0.73086699484977 107 0.0 108 0.0 109 0.73086699484975 110 0.0 111 -0.000000000000003 112 -0.000000000000007 113 -0.000000000000001 114 -0.000000000000084 115 -0.000000000000016 116 0.0 117 0.0 118 0.000000000000003 119 0.0 120 0.0 121 0.000000000000003 122 0.0 123 0.0 124 -0.000000000000002 125 0.0 126 0.0 127 -0.000000000000013 128 -0.001592440090827 129 0.001592440090828 130 -0.000000000000001 131 0.0 132 0.0 133 0.0 134 0.55122304202063 135 -0.55122304202063 136 -0.000000000000008 137 0.0 138 0.0 139 0.0 140 -0.56941273869012 141 0.56941273869008 142 0.000000000000035 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000001 149 0.0 150 0.0 151 -0.078595670599313 152 0.0 153 0.0 154 0.078595670599311 155 0.0 156 0.0 157 0.0 158 -0.000000000000020 159 0.0 160 0.0 161 0.73127885391956 162 0.0 163 0.0 164 -0.73127885391953 165 0.0 Sym= 8.4 Ene= 2.4817 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 -0.002797710943968 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.85643421862719 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 -0.60928486410997 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 0.052021813782201 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 -1.10596785297865 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.006170854480808 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 1.18104315187212 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 0.83112374636360 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.061692727847084 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.84393251242835 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 -0.001838791430106 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 0.63649754338336 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 -0.65750119593536 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.090754463155435 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.84440808633072 Sym= 35.1 Ene= 2.6381 Spin= Alpha Occup= 0.000000 1 -0.14435861491760 2 -0.48565761385610 3 -0.29789350919025 4 8.85716723597673 5 7.50696267983675 6 0.0 7 0.0 8 1.20946325295092 9 0.0 10 0.0 11 0.46322281649876 12 0.0 13 0.0 14 7.41600356696889 15 0.0 16 0.0 17 1.52989329632465 18 0.001480052900952 19 0.001480052900952 20 -0.002960105801904 21 0.0 22 0.0 23 0.0 24 -1.30702005273165 25 -1.30702005273165 26 2.61404010546330 27 0.0 28 0.0 29 0.0 30 -1.07951123304768 31 -1.07951123304768 32 2.15902246609535 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.090387122531619 39 0.0 40 0.0 41 -0.060633525081391 42 0.0 43 0.0 44 -0.060633525081391 45 0.0 46 0.0 47 0.0 48 1.43569901543961 49 0.0 50 0.0 51 -0.96309617812575 52 0.0 53 0.0 54 -0.96309617812575 55 0.0 56 -0.56204708956183 57 -2.48316422963953 58 -0.58796236017219 59 -2.53220590426914 60 -5.55289259009152 61 0.0 62 0.0 63 0.002876610011766 64 0.0 65 0.0 66 4.73230358359496 67 0.0 68 0.0 69 3.49744061297376 70 0.0 71 0.0 72 1.56128983273644 73 -0.018125441887993 74 -0.018125441887993 75 0.036250883775985 76 0.0 77 0.0 78 0.0 79 -0.023475141982824 80 -0.023475141982810 81 0.046950283965634 82 0.0 83 0.0 84 0.0 85 -0.40992025088102 86 -0.40992025088102 87 0.81984050176204 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.16620130530474 94 0.0 95 0.0 96 -0.11149122498317 97 0.0 98 0.0 99 -0.11149122498318 100 0.0 101 0.0 102 0.0 103 -0.13590229922187 104 0.0 105 0.0 106 0.091166033807576 107 0.0 108 0.0 109 0.091166033807592 110 0.0 111 0.30417709469557 112 1.27723128689574 113 0.21032115616622 114 -6.91251442068819 115 -1.90692472661135 116 0.0 117 0.0 118 0.14687204419030 119 0.0 120 0.0 121 0.63801187695250 122 0.0 123 0.0 124 4.32780088519305 125 0.0 126 0.0 127 -0.057450354034309 128 -0.016989897356094 129 -0.016989897356094 130 0.033979794712188 131 0.0 132 0.0 133 0.0 134 0.66955916824859 135 0.66955916824858 136 -1.33911833649717 137 0.0 138 0.0 139 0.0 140 0.57406374948806 141 0.57406374948805 142 -1.14812749897611 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.092786273518050 149 0.0 150 0.0 151 -0.062242924489574 152 0.0 153 0.0 154 -0.062242924489575 155 0.0 156 0.0 157 0.0 158 0.37520217725793 159 0.0 160 0.0 161 -0.25169327209641 162 0.0 163 0.0 164 -0.25169327209639 165 0.0 Sym= 20.3 Ene= 2.7932 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.27565725026607 8 0.0 9 0.0 10 -0.67063971671328 11 0.0 12 0.0 13 2.16448872733714 14 0.0 15 0.0 16 0.70993863908050 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.046659635272715 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.50330924912491 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 1.18451668926357 36 0.0 37 0.036640319534596 38 0.0 39 0.0 40 0.016386049038373 41 0.0 42 0.0 43 -0.065544196156375 44 0.0 45 0.0 46 0.0 47 -0.57037885973901 48 0.0 49 0.0 50 -0.25508118066069 51 0.0 52 0.0 53 1.02032472264383 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.55196547569980 63 0.0 64 0.0 65 -0.95261010854543 66 0.0 67 0.0 68 -1.55892858775340 69 0.0 70 0.0 71 -1.13222699347149 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.002748435115029 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.16791542675387 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.80339826802646 91 0.0 92 0.062553218059298 93 0.0 94 0.0 95 0.027974649559265 96 0.0 97 0.0 98 -0.11189859823444 99 0.0 100 0.0 101 0.0 102 -0.96583291015114 103 0.0 104 0.0 105 -0.43193360839934 106 0.0 107 0.0 108 1.72773443360198 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.48362866770730 118 0.0 119 0.0 120 -0.30822065722565 121 0.0 122 0.0 123 0.084624153608292 124 0.0 125 0.0 126 0.65843788232896 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.018692362749554 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.41067948772968 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.94039057134220 146 0.0 147 0.064740344172480 148 0.0 149 0.0 150 0.028952762090257 151 0.0 152 0.0 153 -0.11581104836409 154 0.0 155 0.0 156 0.0 157 -0.76688099630232 158 0.0 159 0.0 160 -0.34295960767862 161 0.0 162 0.0 163 1.37183843070948 164 0.0 165 0.0 Sym= 20.2 Ene= 2.7932 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.27565725026597 7 0.0 8 0.0 9 -0.67063971671332 10 0.0 11 0.0 12 2.16448872733781 13 0.0 14 0.0 15 0.70993863908062 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.046659635272714 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.50330924912504 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 1.18451668926383 35 0.0 36 0.036640319534596 37 0.0 38 0.0 39 0.016386049038372 40 0.0 41 0.0 42 -0.065544196156375 43 0.0 44 0.0 45 0.0 46 -0.57037885973904 47 0.0 48 0.0 49 -0.25508118066070 50 0.0 51 0.0 52 1.02032472264389 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.55196547569981 62 0.0 63 0.0 64 -0.95261010854541 65 0.0 66 0.0 67 -1.55892858775390 68 0.0 69 0.0 70 -1.13222699347166 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.002748435115027 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.16791542675406 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.80339826802686 90 0.0 91 0.062553218059295 92 0.0 93 0.0 94 0.027974649559263 95 0.0 96 0.0 97 -0.11189859823443 98 0.0 99 0.0 100 0.0 101 -0.96583291015110 102 0.0 103 0.0 104 -0.43193360839932 105 0.0 106 0.0 107 1.72773443360190 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.48362866770731 117 0.0 118 0.0 119 -0.30822065722561 120 0.0 121 0.0 122 0.084624153608066 123 0.0 124 0.0 125 0.65843788232900 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.018692362749556 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.41067948772974 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.94039057134215 145 0.0 146 0.064740344172477 147 0.0 148 0.0 149 0.028952762090256 150 0.0 151 0.0 152 -0.11581104836409 153 0.0 154 0.0 155 0.0 156 -0.76688099630230 157 0.0 158 0.0 159 -0.34295960767861 160 0.0 161 0.0 162 1.37183843070943 163 0.0 164 0.0 165 0.0 Sym= 36.1 Ene= 2.9367 Spin= Alpha Occup= 0.000000 1 -0.28913224167114 2 -1.19887986013091 3 -0.29002249432702 4 -14.0035426683971 5 -5.87949192320951 6 0.0 7 0.0 8 -0.45190377032166 9 0.0 10 0.0 11 -0.55078800461415 12 0.0 13 0.0 14 -5.42301566285120 15 0.0 16 0.0 17 -1.15843564097386 18 -0.030438687021538 19 -0.030438687021538 20 0.060877374043076 21 0.0 22 0.0 23 0.0 24 -0.091692111521261 25 -0.091692111521293 26 0.18338422304255 27 0.0 28 0.0 29 0.0 30 0.22381475104015 31 0.22381475104014 32 -0.44762950208029 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.15727721619044 39 0.0 40 0.0 41 -0.10550476401413 42 0.0 43 0.0 44 -0.10550476401413 45 0.0 46 0.0 47 0.0 48 0.33045253365183 49 0.0 50 0.0 51 -0.22167429857475 52 0.0 53 0.0 54 -0.22167429857477 55 0.0 56 0.22578462753028 57 1.41480538203468 58 0.080664181751954 59 27.3587093106817 60 10.9239238378013 61 0.0 62 0.0 63 -0.47993334388060 64 0.0 65 0.0 66 4.01233181076316 67 0.0 68 0.0 69 -2.93480334940392 70 0.0 71 0.0 72 0.036291383614561 73 0.024621592667349 74 0.024621592667350 75 -0.049243185334699 76 0.0 77 0.0 78 0.0 79 -1.74588616031360 80 -1.74588616031361 81 3.49177232062721 82 0.0 83 0.0 84 0.0 85 -1.26842015795046 86 -1.26842015795046 87 2.53684031590092 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.20014727798734 94 0.0 95 0.0 96 -0.13426287572737 97 0.0 98 0.0 99 -0.13426287572737 100 0.0 101 0.0 102 0.0 103 0.083322552057638 104 0.0 105 0.0 106 -0.055894467137862 107 0.0 108 0.0 109 -0.055894467137925 110 0.0 111 0.047864989479605 112 0.13057697984555 113 0.20825772286921 114 -12.3021127501562 115 -7.76544930327153 116 0.0 117 0.0 118 0.80331743887796 119 0.0 120 0.0 121 1.33085156483739 122 0.0 123 0.0 124 7.98068035881254 125 0.0 126 0.0 127 1.26731699667850 128 -0.021834465450113 129 -0.021834465450113 130 0.043668930900226 131 0.0 132 0.0 133 0.0 134 1.02420691494114 135 1.02420691494117 136 -2.04841382988231 137 0.0 138 0.0 139 0.0 140 1.05851577758522 141 1.05851577758524 142 -2.11703155517046 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.036771443594533 149 0.0 150 0.0 151 -0.024667034252454 152 0.0 153 0.0 154 -0.024667034252451 155 0.0 156 0.0 157 0.0 158 1.13379441881987 159 0.0 160 0.0 161 -0.76057241789731 162 0.0 163 0.0 164 -0.76057241789735 165 0.0 Sym= 21.2 Ene= 2.9764 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 1.96340822437262 7 0.0 8 0.0 9 -1.11162872785006 10 0.0 11 0.0 12 4.87019183188709 13 0.0 14 0.0 15 0.45573894247867 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.000828783532562 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 1.82866696602626 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 1.82573243422053 35 0.0 36 -0.048867122520061 37 0.0 38 0.0 39 -0.021854041564487 40 0.0 41 0.0 42 0.087416166256288 43 0.0 44 0.0 45 0.0 46 -0.54711252241416 47 0.0 48 0.0 49 -0.24467615829329 50 0.0 51 0.0 52 0.97870463316896 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 1.23399930091163 62 0.0 63 0.0 64 -1.21801263673153 65 0.0 66 0.0 67 -2.58230592934646 68 0.0 69 0.0 70 -0.90722794652861 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.081630227371556 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 3.10305815346445 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 3.18359244195025 90 0.0 91 -0.057110199709085 92 0.0 93 0.0 94 -0.025540457749887 95 0.0 96 0.0 97 0.10216183100475 98 0.0 99 0.0 100 0.0 101 -0.040970177252113 102 0.0 103 0.0 104 -0.018322420271940 105 0.0 106 0.0 107 0.073289681103504 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.21917736997585 117 0.0 118 0.0 119 -0.036241526693160 120 0.0 121 0.0 122 -3.22372976870156 123 0.0 124 0.0 125 0.20252878065379 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.022299211827343 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 1.35652560260192 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.97202180938098 145 0.0 146 -0.012895571476247 147 0.0 148 0.0 149 -0.005767074886601 150 0.0 151 0.0 152 0.023068299544358 153 0.0 154 0.0 155 0.0 156 0.47730992547414 157 0.0 158 0.0 159 0.21345948792857 160 0.0 161 0.0 162 -0.85383795174589 163 0.0 164 0.0 165 0.0 Sym= 21.3 Ene= 2.9764 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 1.96340822437252 8 0.0 9 0.0 10 -1.11162872785003 11 0.0 12 0.0 13 4.87019183188775 14 0.0 15 0.0 16 0.45573894247875 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.000828783532546 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 1.82866696602636 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 1.82573243422077 36 0.0 37 -0.048867122520059 38 0.0 39 0.0 40 -0.021854041564486 41 0.0 42 0.0 43 0.087416166256283 44 0.0 45 0.0 46 0.0 47 -0.54711252241423 48 0.0 49 0.0 50 -0.24467615829332 51 0.0 52 0.0 53 0.97870463316908 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 1.23399930091169 63 0.0 64 0.0 65 -1.21801263673168 66 0.0 67 0.0 68 -2.58230592934663 69 0.0 70 0.0 71 -0.90722794652869 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.081630227371556 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 3.10305815346457 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 3.18359244195078 91 0.0 92 -0.057110199709088 93 0.0 94 0.0 95 -0.025540457749888 96 0.0 97 0.0 98 0.10216183100475 99 0.0 100 0.0 101 0.0 102 -0.040970177252187 103 0.0 104 0.0 105 -0.018322420271973 106 0.0 107 0.0 108 0.073289681103636 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.21917736997576 118 0.0 119 0.0 120 -0.036241526693270 121 0.0 122 0.0 123 -3.22372976870200 124 0.0 125 0.0 126 0.20252878065373 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.022299211827340 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 1.35652560260198 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.97202180938109 146 0.0 147 -0.012895571476247 148 0.0 149 0.0 150 -0.005767074886601 151 0.0 152 0.0 153 0.023068299544358 154 0.0 155 0.0 156 0.0 157 0.47730992547413 158 0.0 159 0.0 160 0.21345948792857 161 0.0 162 0.0 163 -0.85383795174587 164 0.0 165 0.0 Sym= 37.1 Ene= 2.9924 Spin= Alpha Occup= 0.000000 1 -0.000000000000004 2 -0.000000000000017 3 -0.000000000000007 4 0.000000000000265 5 0.000000000000182 6 0.0 7 0.0 8 0.000000000000020 9 0.0 10 0.0 11 0.000000000000000 12 0.0 13 0.0 14 0.000000000000143 15 0.0 16 0.0 17 0.000000000000034 18 0.028247294398610 19 -0.028247294398610 20 0.000000000000000 21 0.0 22 0.0 23 0.0 24 1.22902152363387 25 -1.22902152363389 26 0.000000000000012 27 0.0 28 0.0 29 0.0 30 0.37551173023618 31 -0.37551173023620 32 0.000000000000027 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000000000000002 39 0.0 40 0.0 41 -0.028383753138232 42 0.0 43 0.0 44 0.028383753138229 45 0.0 46 0.0 47 0.0 48 -0.000000000000001 49 0.0 50 0.0 51 0.87952834698670 52 0.0 53 0.0 54 -0.87952834698670 55 0.0 56 -0.000000000000006 57 -0.000000000000029 58 -0.000000000000004 59 -0.000000000000360 60 -0.000000000000221 61 0.0 62 0.0 63 -0.000000000000008 64 0.0 65 0.0 66 -0.000000000000003 67 0.0 68 0.0 69 0.000000000000060 70 0.0 71 0.0 72 0.000000000000029 73 -0.017276514577766 74 0.017276514577766 75 0.000000000000000 76 0.0 77 0.0 78 0.0 79 0.16391091004434 80 -0.16391091004431 81 -0.000000000000038 82 0.0 83 0.0 84 0.0 85 -0.13374600512992 86 0.13374600512994 87 -0.000000000000023 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000002 94 0.0 95 0.0 96 -0.090546344047045 97 0.0 98 0.0 99 0.090546344047043 100 0.0 101 0.0 102 0.0 103 -0.000000000000028 104 0.0 105 0.0 106 2.41638977470559 107 0.0 108 0.0 109 -2.41638977470556 110 0.0 111 0.000000000000007 112 0.000000000000032 113 0.000000000000002 114 0.000000000000078 115 0.000000000000071 116 0.0 117 0.0 118 -0.000000000000010 119 0.0 120 0.0 121 -0.000000000000013 122 0.0 123 0.0 124 -0.000000000000049 125 0.0 126 0.0 127 -0.000000000000019 128 -0.008818720830041 129 0.008818720830041 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 -1.01373617448446 135 1.01373617448445 136 0.000000000000016 137 0.0 138 0.0 139 0.0 140 -0.64735853399678 141 0.64735853399677 142 0.000000000000015 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000002 149 0.0 150 0.0 151 -0.090889499867482 152 0.0 153 0.0 154 0.090889499867479 155 0.0 156 0.0 157 0.0 158 -0.000000000000019 159 0.0 160 0.0 161 1.39297616588272 162 0.0 163 0.0 164 -1.39297616588269 165 0.0 Sym= 9.4 Ene= 2.9924 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.032617166047717 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 1.41915181502231 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.43360359708066 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.032774735030923 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 1.01559185579495 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.019949200685115 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.18926801606946 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.15443658413935 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.10455391221952 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 2.79020657379260 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 -0.010182981690068 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -1.17056170645597 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 -0.74750524772581 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.10495015442868 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 1.60847032869103 Sym= 38.1 Ene= 3.2456 Spin= Alpha Occup= 0.000000 1 0.54661178037990 2 2.43619500813888 3 0.78209301370193 4 1.94953996202168 5 -1.04127801684878 6 0.0 7 0.0 8 -0.41778338227877 9 0.0 10 0.0 11 0.70156875906954 12 0.0 13 0.0 14 0.084073818624110 15 0.0 16 0.0 17 0.046685426759700 18 0.020920320335695 19 0.020920320335694 20 -0.041840640671388 21 0.0 22 0.0 23 0.0 24 -0.10604694818763 25 -0.10604694818766 26 0.21209389637530 27 0.0 28 0.0 29 0.0 30 -0.018797915487196 31 -0.018797915487205 32 0.037595830974401 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.29040051944593 39 0.0 40 0.0 41 0.19480659065470 42 0.0 43 0.0 44 0.19480659065470 45 0.0 46 0.0 47 0.0 48 0.77252317801632 49 0.0 50 0.0 51 -0.51822430207159 52 0.0 53 0.0 54 -0.51822430207161 55 0.0 56 0.047642945947118 57 -0.035253456795723 58 -0.037596091406120 59 -7.96284279123262 60 -1.37009429519039 61 0.0 62 0.0 63 1.37355103597410 64 0.0 65 0.0 66 -1.95047522361286 67 0.0 68 0.0 69 0.52241179804046 70 0.0 71 0.0 72 -1.16683602376319 73 -0.027403188609088 74 -0.027403188609088 75 0.054806377218175 76 0.0 77 0.0 78 0.0 79 0.41219063812230 80 0.41219063812230 81 -0.82438127624460 82 0.0 83 0.0 84 0.0 85 0.69308384314163 86 0.69308384314163 87 -1.38616768628326 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.25241821668464 94 0.0 95 0.0 96 0.16932728737984 97 0.0 98 0.0 99 0.16932728737984 100 0.0 101 0.0 102 0.0 103 2.42370000363690 104 0.0 105 0.0 106 -1.62586738955955 107 0.0 108 0.0 109 -1.62586738955961 110 0.0 111 -0.60077672633090 112 -2.63710512089875 113 -0.40577706909782 114 6.03698202113196 115 3.23840555274966 116 0.0 117 0.0 118 -0.14015402551426 119 0.0 120 0.0 121 -0.029503074635762 122 0.0 123 0.0 124 -3.42517490266507 125 0.0 126 0.0 127 -0.12204104943542 128 0.010546513858456 129 0.010546513858456 130 -0.021093027716911 131 0.0 132 0.0 133 0.0 134 -0.13902765441871 135 -0.13902765441869 136 0.27805530883739 137 0.0 138 0.0 139 0.0 140 -0.29194277451882 141 -0.29194277451881 142 0.58388554903763 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.15029653684258 149 0.0 150 0.0 151 0.10082198194884 152 0.0 153 0.0 154 0.10082198194884 155 0.0 156 0.0 157 0.0 158 0.70402886157901 159 0.0 160 0.0 161 -0.47227691778372 162 0.0 163 0.0 164 -0.47227691778375 165 0.0 Sym= 39.1 Ene= 3.7087 Spin= Alpha Occup= 0.000000 1 -0.43946629858085 2 -2.19535267828010 3 -0.26679593140167 4 -16.4567863398081 5 -4.44094303428677 6 0.0 7 0.0 8 0.33181190053740 9 0.0 10 0.0 11 -3.37659774609005 12 0.0 13 0.0 14 -6.93532927688085 15 0.0 16 0.0 17 -0.56808596346508 18 -0.093498392841963 19 -0.093498392841962 20 0.18699678568392 21 0.0 22 0.0 23 0.0 24 0.64767694168765 25 0.64767694168765 26 -1.29535388337530 27 0.0 28 0.0 29 0.0 30 0.38200809561598 31 0.38200809561598 32 -0.76401619123196 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.21343939103965 39 0.0 40 0.0 41 0.14317949623224 42 0.0 43 0.0 44 0.14317949623224 45 0.0 46 0.0 47 0.0 48 0.23434037556793 49 0.0 50 0.0 51 -0.15720030289281 52 0.0 53 0.0 54 -0.15720030289281 55 0.0 56 -0.57611628137235 57 -2.33337657088777 58 -0.63094097190195 59 17.3233964377513 60 3.77605581400943 61 0.0 62 0.0 63 -0.026161879558865 64 0.0 65 0.0 66 -3.13555760355815 67 0.0 68 0.0 69 -7.53663861193026 70 0.0 71 0.0 72 -1.37496193220170 73 -0.15765125078520 74 -0.15765125078520 75 0.31530250157041 76 0.0 77 0.0 78 0.0 79 -1.36188472432595 80 -1.36188472432595 81 2.72376944865190 82 0.0 83 0.0 84 0.0 85 -1.20431730837791 86 -1.20431730837791 87 2.40863461675582 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.21317876853577 94 0.0 95 0.0 96 0.14300466534170 97 0.0 98 0.0 99 0.14300466534170 100 0.0 101 0.0 102 0.0 103 0.34642285924331 104 0.0 105 0.0 106 -0.23238751866837 107 0.0 108 0.0 109 -0.23238751866836 110 0.0 111 -0.44584496218189 112 -2.14951783667245 113 -0.35324581433253 114 1.14581025575276 115 2.22995497614106 116 0.0 117 0.0 118 0.21889797237725 119 0.0 120 0.0 121 0.73941212504711 122 0.0 123 0.0 124 -2.90610706975789 125 0.0 126 0.0 127 -0.44368551110104 128 -0.040137211241224 129 -0.040137211241225 130 0.080274422482449 131 0.0 132 0.0 133 0.0 134 -0.27504134221429 135 -0.27504134221429 136 0.55008268442857 137 0.0 138 0.0 139 0.0 140 -0.65941995611904 141 -0.65941995611904 142 1.31883991223807 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.016846644978335 149 0.0 150 0.0 151 -0.011301073009309 152 0.0 153 0.0 154 -0.011301073009309 155 0.0 156 0.0 157 0.0 158 -0.92430218030752 159 0.0 160 0.0 161 0.62004075207567 162 0.0 163 0.0 164 0.62004075207567 165 0.0 Sym= 22.2 Ene= 3.7188 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -1.28179951806998 7 0.0 8 0.0 9 1.81173056315477 10 0.0 11 0.0 12 3.51295304803718 13 0.0 14 0.0 15 0.21063476927463 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.086247426497751 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 1.22352670689035 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.81637960849466 35 0.0 36 0.088175141710159 37 0.0 38 0.0 39 0.039433122156720 40 0.0 41 0.0 42 -0.15773248863048 43 0.0 44 0.0 45 0.0 46 -0.26413142523104 47 0.0 48 0.0 49 -0.11812316436261 50 0.0 51 0.0 52 0.47249265744892 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -1.91920650968427 62 0.0 63 0.0 64 2.70788257090286 65 0.0 66 0.0 67 1.57056651777240 68 0.0 69 0.0 70 0.066924278204382 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.068204990229708 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 3.03847924189510 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 3.62935141109290 90 0.0 91 0.092399340751874 92 0.0 93 0.0 94 0.041322241400393 95 0.0 96 0.0 97 -0.16528896559881 98 0.0 99 0.0 100 0.0 101 -0.19692522329870 102 0.0 103 0.0 104 -0.088067637153365 105 0.0 106 0.0 107 0.35227054862149 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.74972084399985 117 0.0 118 0.0 119 0.60862954679694 120 0.0 121 0.0 122 -5.25518148776454 123 0.0 124 0.0 125 -0.46305863245995 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.029289102640194 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 1.36117420061255 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 2.42796506893823 145 0.0 146 -0.036744436630610 147 0.0 148 0.0 149 -0.016432611623487 150 0.0 151 0.0 152 0.065730446484074 153 0.0 154 0.0 155 0.0 156 0.86882885006749 157 0.0 158 0.0 159 0.38855207390953 160 0.0 161 0.0 162 -1.55420829564786 163 0.0 164 0.0 165 0.0 Sym= 22.3 Ene= 3.7188 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -1.28179951807032 8 0.0 9 0.0 10 1.81173056315510 11 0.0 12 0.0 13 3.51295304803665 14 0.0 15 0.0 16 0.21063476927463 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.086247426497733 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 1.22352670689034 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.81637960849435 36 0.0 37 0.088175141710192 38 0.0 39 0.0 40 0.039433122156735 41 0.0 42 0.0 43 -0.15773248863053 44 0.0 45 0.0 46 0.0 47 -0.26413142523105 48 0.0 49 0.0 50 -0.11812316436262 51 0.0 52 0.0 53 0.47249265744894 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -1.91920650968382 63 0.0 64 0.0 65 2.70788257090243 66 0.0 67 0.0 68 1.57056651777365 69 0.0 70 0.0 71 0.066924278204373 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.068204990229749 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 3.03847924189519 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 3.62935141109301 91 0.0 92 0.092399340751834 93 0.0 94 0.0 95 0.041322241400375 96 0.0 97 0.0 98 -0.16528896559874 99 0.0 100 0.0 101 0.0 102 -0.19692522329878 103 0.0 104 0.0 105 -0.088067637153404 106 0.0 107 0.0 108 0.35227054862165 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.74972084400004 118 0.0 119 0.0 120 0.60862954679714 121 0.0 122 0.0 123 -5.25518148776525 124 0.0 125 0.0 126 -0.46305863246002 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.029289102640190 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 1.36117420061262 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 2.42796506893860 146 0.0 147 -0.036744436630617 148 0.0 149 0.0 150 -0.016432611623490 151 0.0 152 0.0 153 0.065730446484085 154 0.0 155 0.0 156 0.0 157 0.86882885006755 158 0.0 159 0.0 160 0.38855207390956 161 0.0 162 0.0 163 -1.55420829564796 164 0.0 165 0.0 Sym= 40.1 Ene= 4.3330 Spin= Alpha Occup= 0.000000 1 0.31453526413980 2 1.85267746302516 3 1.14425108373340 4 7.13229063031513 5 0.50774581557162 6 0.0 7 0.0 8 1.34491537079808 9 0.0 10 0.0 11 -1.17328139621210 12 0.0 13 0.0 14 1.21730072371208 15 0.0 16 0.0 17 0.028817001547639 18 -0.006759994690886 19 -0.006759994690886 20 0.013519989381772 21 0.0 22 0.0 23 0.0 24 0.47764771384193 25 0.47764771384193 26 -0.95529542768387 27 0.0 28 0.0 29 0.0 30 0.22122333374953 31 0.22122333374953 32 -0.44244666749907 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.35431703810966 39 0.0 40 0.0 41 -0.23768309483987 42 0.0 43 0.0 44 -0.23768309483987 45 0.0 46 0.0 47 0.0 48 -0.61617980205760 49 0.0 50 0.0 51 0.41334597712894 52 0.0 53 0.0 54 0.41334597712895 55 0.0 56 0.034396155255545 57 0.36729449137684 58 0.38039652097266 59 -4.60342557325113 60 -0.014116833595428 61 0.0 62 0.0 63 -1.70311367674021 64 0.0 65 0.0 66 -0.024674412728645 67 0.0 68 0.0 69 11.6655762698730 70 0.0 71 0.0 72 0.23722115708679 73 -0.039802677750324 74 -0.039802677750325 75 0.079605355500649 76 0.0 77 0.0 78 0.0 79 0.30679551537509 80 0.30679551537509 81 -0.61359103075018 82 0.0 83 0.0 84 0.0 85 -0.13570750014214 86 -0.13570750014214 87 0.27141500028427 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.66365994686129 94 0.0 95 0.0 96 0.44519662653772 97 0.0 98 0.0 99 0.44519662653772 100 0.0 101 0.0 102 0.0 103 2.45003903293076 104 0.0 105 0.0 106 -1.64353614754831 107 0.0 108 0.0 109 -1.64353614754830 110 0.0 111 -0.23145836863104 112 -1.12466753203854 113 -0.39697544056817 114 -4.24522295018127 115 -0.70781768936181 116 0.0 117 0.0 118 0.041507775920287 119 0.0 120 0.0 121 0.035103452536319 122 0.0 123 0.0 124 -0.59901321157481 125 0.0 126 0.0 127 0.056836143159245 128 -0.002517440504591 129 -0.002517440504591 130 0.005034881009182 131 0.0 132 0.0 133 0.0 134 -0.24431164794970 135 -0.24431164794970 136 0.48862329589941 137 0.0 138 0.0 139 0.0 140 -0.51488641984112 141 -0.51488641984112 142 1.02977283968224 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.050078721905666 149 0.0 150 0.0 151 0.033593827922213 152 0.0 153 0.0 154 0.033593827922213 155 0.0 156 0.0 157 0.0 158 -0.24968679458372 159 0.0 160 0.0 161 0.16749499373197 162 0.0 163 0.0 164 0.16749499373197 165 0.0 Sym= 23.3 Ene= 4.4031 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 1.60303284453482 8 0.0 9 0.0 10 -2.53057529085613 11 0.0 12 0.0 13 -1.61243044452655 14 0.0 15 0.0 16 -0.10277787741410 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.093388756033811 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -1.32645687512915 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.73016424152783 36 0.0 37 -0.31685880221625 38 0.0 39 0.0 40 -0.14170356420041 41 0.0 42 0.0 43 0.56681425681523 44 0.0 45 0.0 46 0.0 47 0.58376708704960 48 0.0 49 0.0 50 0.26106857793074 51 0.0 52 0.0 53 -1.04427431173270 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -2.14873928619466 63 0.0 64 0.0 65 3.14166191112659 66 0.0 67 0.0 68 4.36027033308147 69 0.0 70 0.0 71 0.093442811043559 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.46459757438631 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.42533630959112 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.97236764157622 91 0.0 92 0.064527770200854 93 0.0 94 0.0 95 0.028857696129998 96 0.0 97 0.0 98 -0.11543078449335 99 0.0 100 0.0 101 0.0 102 -0.70478006167346 103 0.0 104 0.0 105 -0.31518722541841 106 0.0 107 0.0 108 1.26074890167143 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.75740325216050 118 0.0 119 0.0 120 0.59088448895865 121 0.0 122 0.0 123 -2.53199550700472 124 0.0 125 0.0 126 -0.20394345127017 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.003358348534955 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.17842598096078 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 1.16126326895494 146 0.0 147 0.066055395008694 148 0.0 149 0.0 150 0.029540870703581 151 0.0 152 0.0 153 -0.11816348281560 154 0.0 155 0.0 156 0.0 157 0.026832829869693 158 0.0 159 0.0 160 0.012000006320675 161 0.0 162 0.0 163 -0.048000025291068 164 0.0 165 0.0 Sym= 23.2 Ene= 4.4031 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 1.60303284453355 7 0.0 8 0.0 9 -2.53057529085389 10 0.0 11 0.0 12 -1.61243044452600 13 0.0 14 0.0 15 -0.10277787741433 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.093388756034014 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -1.32645687512828 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.73016424152783 35 0.0 36 -0.31685880221643 37 0.0 38 0.0 39 -0.14170356420049 40 0.0 41 0.0 42 0.56681425681556 43 0.0 44 0.0 45 0.0 46 0.58376708704955 47 0.0 48 0.0 49 0.26106857793072 50 0.0 51 0.0 52 -1.04427431173262 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -2.14873928619393 62 0.0 63 0.0 64 3.14166191112544 65 0.0 66 0.0 67 4.36027033308059 68 0.0 69 0.0 70 0.093442811043869 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.46459757438676 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.42533630958950 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.97236764157585 90 0.0 91 0.064527770200808 92 0.0 93 0.0 94 0.028857696129977 95 0.0 96 0.0 97 -0.11543078449327 98 0.0 99 0.0 100 0.0 101 -0.70478006167302 102 0.0 103 0.0 104 -0.31518722541821 105 0.0 106 0.0 107 1.26074890167063 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.75740325216006 117 0.0 118 0.0 119 0.59088448895819 120 0.0 121 0.0 122 -2.53199550700444 123 0.0 124 0.0 125 -0.20394345127026 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.003358348534978 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.17842598096093 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 1.16126326895497 145 0.0 146 0.066055395008747 147 0.0 148 0.0 149 0.029540870703605 150 0.0 151 0.0 152 -0.11816348281570 153 0.0 154 0.0 155 0.0 156 0.026832829869748 157 0.0 158 0.0 159 0.012000006320699 160 0.0 161 0.0 162 -0.048000025291166 163 0.0 164 0.0 165 0.0 Sym= 10.4 Ene= 4.4075 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 -0.31650353438325 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 0.17747690447781 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 -0.016566931866127 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.64997577349208 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.36210759248652 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.24051972792824 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.18592080436112 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.26222712550571 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.75480713048847 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.39937092273556 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.002042568004510 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.10109333485458 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.22733233497217 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.084344343572304 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.10837286383720 Sym= 41.1 Ene= 4.4075 Spin= Alpha Occup= 0.000000 1 -0.000000000000000 2 -0.000000000000002 3 -0.000000000000001 4 -0.000000000000011 5 -0.000000000000014 6 0.0 7 0.0 8 -0.000000000000002 9 0.0 10 0.0 11 0.000000000000002 12 0.0 13 0.0 14 -0.000000000000004 15 0.0 16 0.0 17 -0.000000000000003 18 -0.27410010116358 19 0.27410010116358 20 -0.000000000000001 21 0.0 22 0.0 23 0.0 24 0.15369950786378 25 -0.15369950786378 26 0.000000000000002 27 0.0 28 0.0 29 0.0 30 -0.014347383858981 31 0.014347383858981 32 -0.000000000000001 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000000 39 0.0 40 0.0 41 -0.56289553168834 42 0.0 43 0.0 44 0.56289553168834 45 0.0 46 0.0 47 0.0 48 0.000000000000000 49 0.0 50 0.0 51 0.31359437399679 52 0.0 53 0.0 54 -0.31359437399679 55 0.0 56 -0.000000000000000 57 -0.000000000000001 58 -0.000000000000001 59 0.000000000000020 60 0.000000000000019 61 0.0 62 0.0 63 -0.000000000000001 64 0.0 65 0.0 66 0.000000000000004 67 0.0 68 0.0 69 -0.000000000000007 70 0.0 71 0.0 72 -0.000000000000002 73 -0.20829619449743 74 0.20829619449743 75 -0.000000000000001 76 0.0 77 0.0 78 0.0 79 0.16101213966981 80 -0.16101213966981 81 0.000000000000002 82 0.0 83 0.0 84 0.0 85 -0.22709535224861 86 0.22709535224861 87 0.000000000000002 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000001 94 0.0 95 0.0 96 0.65368214996077 97 0.0 98 0.0 99 -0.65368214996077 100 0.0 101 0.0 102 0.0 103 -0.000000000000002 104 0.0 105 0.0 106 -0.34586536461958 107 0.0 108 0.0 109 0.34586536461958 110 0.0 111 0.000000000000000 112 0.000000000000001 113 0.000000000000000 114 -0.000000000000005 115 -0.000000000000007 116 0.0 117 0.0 118 -0.000000000000001 119 0.0 120 0.0 121 0.000000000000002 122 0.0 123 0.0 124 0.000000000000005 125 0.0 126 0.0 127 0.000000000000002 128 0.001768915781437 129 -0.001768915781437 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 -0.087549396138314 135 0.087549396138314 136 -0.000000000000001 137 0.0 138 0.0 139 0.0 140 0.19687557718608 141 -0.19687557718608 142 -0.000000000000002 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.000000000000000 149 0.0 150 0.0 151 -0.073044344198860 152 0.0 153 0.0 154 0.073044344198860 155 0.0 156 0.0 157 0.0 158 -0.000000000000000 159 0.0 160 0.0 161 0.093853653165713 162 0.0 163 0.0 164 -0.093853653165712 165 0.0 Sym= 42.1 Ene= 4.5202 Spin= Alpha Occup= 0.000000 1 0.026924166844016 2 0.81043406203210 3 0.43385456943328 4 32.4077515609569 5 8.04122493464375 6 0.0 7 0.0 8 -2.78908258397731 9 0.0 10 0.0 11 6.58844871481236 12 0.0 13 0.0 14 15.3388738935495 15 0.0 16 0.0 17 1.46690531009604 18 -0.089905619371099 19 -0.089905619371100 20 0.17981123874220 21 0.0 22 0.0 23 0.0 24 -1.13362632189633 25 -1.13362632189633 26 2.26725264379266 27 0.0 28 0.0 29 0.0 30 -1.22605224931920 31 -1.22605224931920 32 2.45210449863840 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.068493251323116 39 0.0 40 0.0 41 -0.045946669787540 42 0.0 43 0.0 44 -0.045946669787540 45 0.0 46 0.0 47 0.0 48 0.31926927299380 49 0.0 50 0.0 51 -0.21417233926232 52 0.0 53 0.0 54 -0.21417233926232 55 0.0 56 -0.061325505931208 57 -0.87431900942472 58 -0.30184629525479 59 -31.8888958903130 60 -7.80454010345117 61 0.0 62 0.0 63 -1.61610915306864 64 0.0 65 0.0 66 5.37295931777234 67 0.0 68 0.0 69 15.3193540475424 70 0.0 71 0.0 72 1.55148065328878 73 -0.12286845648611 74 -0.12286845648611 75 0.24573691297222 76 0.0 77 0.0 78 0.0 79 1.44874686587802 80 1.44874686587802 81 -2.89749373175604 82 0.0 83 0.0 84 0.0 85 1.38504765535586 86 1.38504765535586 87 -2.77009531071171 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.17140176606404 94 0.0 95 0.0 96 -0.11497980011481 97 0.0 98 0.0 99 -0.11497980011481 100 0.0 101 0.0 102 0.0 103 -0.073901743894692 104 0.0 105 0.0 106 0.049574796901295 107 0.0 108 0.0 109 0.049574796901291 110 0.0 111 0.12528067826673 112 0.59062026626740 113 0.23165267608838 114 -0.13479741411033 115 -0.71322539358808 116 0.0 117 0.0 118 1.27570017163553 119 0.0 120 0.0 121 -1.44448619411713 122 0.0 123 0.0 124 0.37482324890829 125 0.0 126 0.0 127 0.065808652933017 128 -0.047977906192961 129 -0.047977906192960 130 0.095955812385921 131 0.0 132 0.0 133 0.0 134 0.14002020545963 135 0.14002020545963 136 -0.28004041091926 137 0.0 138 0.0 139 0.0 140 -0.046535927187834 141 -0.046535927187833 142 0.093071854375667 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.11776160057099 149 0.0 150 0.0 151 -0.078996883204776 152 0.0 153 0.0 154 -0.078996883204776 155 0.0 156 0.0 157 0.0 158 -0.10264089575688 159 0.0 160 0.0 161 0.068853606055160 162 0.0 163 0.0 164 0.068853606055158 165 0.0 Sym= 24.3 Ene= 4.6151 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.000000000014319 8 0.0 9 0.0 10 -0.000000000025440 11 0.0 12 0.0 13 -0.000000000010785 14 0.0 15 0.0 16 -0.000000000005013 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.000000000007599 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.000000000009781 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.000000000002986 36 0.0 37 -0.52603466531413 38 0.0 39 0.0 40 0.70574956210736 41 0.0 42 0.0 43 -0.000000000009123 44 0.0 45 0.0 46 0.0 47 0.19100601868414 48 0.0 49 0.0 50 -0.25626146513398 51 0.0 52 0.0 53 0.000000000000380 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.000000000008587 63 0.0 64 0.0 65 -0.000000000011428 66 0.0 67 0.0 68 -0.000000000020829 69 0.0 70 0.0 71 0.000000000008843 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.000000000013048 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.000000000047645 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -0.000000000008344 91 0.0 92 -0.73010641534628 93 0.0 94 0.0 95 0.97954054531387 96 0.0 97 0.0 98 -0.000000000000078 99 0.0 100 0.0 101 0.0 102 0.32217853630206 103 0.0 104 0.0 105 -0.43224786483298 106 0.0 107 0.0 108 -0.000000000004703 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.000000000022692 118 0.0 119 0.0 120 0.000000000029679 121 0.0 122 0.0 123 0.000000000037625 124 0.0 125 0.0 126 -0.000000000003310 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.000000000001410 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.000000000014928 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.000000000016532 146 0.0 147 -0.033390357789920 148 0.0 149 0.0 150 0.044797865884396 151 0.0 152 0.0 153 0.000000000002384 154 0.0 155 0.0 156 0.0 157 -0.012491692901899 158 0.0 159 0.0 160 0.016759364680573 161 0.0 162 0.0 163 0.000000000009046 164 0.0 165 0.0 Sym= 24.2 Ene= 4.6151 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.000000000014305 7 0.0 8 0.0 9 0.000000000025417 10 0.0 11 0.0 12 0.000000000010778 13 0.0 14 0.0 15 0.000000000005014 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.000000000007594 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.000000000009777 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.000000000002985 35 0.0 36 0.52603466531412 37 0.0 38 0.0 39 -0.70574956210736 40 0.0 41 0.0 42 0.000000000009121 43 0.0 44 0.0 45 0.0 46 -0.19100601868414 47 0.0 48 0.0 49 0.25626146513397 50 0.0 51 0.0 52 -0.000000000000379 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.000000000008589 62 0.0 63 0.0 64 0.000000000011429 65 0.0 66 0.0 67 0.000000000020832 68 0.0 69 0.0 70 -0.000000000008845 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000000000013043 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.000000000047628 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.000000000008343 90 0.0 91 0.73010641534629 92 0.0 93 0.0 94 -0.97954054531387 95 0.0 96 0.0 97 0.000000000000073 98 0.0 99 0.0 100 0.0 101 -0.32217853630207 102 0.0 103 0.0 104 0.43224786483297 105 0.0 106 0.0 107 0.000000000004713 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.000000000022694 117 0.0 118 0.0 119 -0.000000000029682 120 0.0 121 0.0 122 -0.000000000037620 123 0.0 124 0.0 125 0.000000000003311 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.000000000001410 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.000000000014924 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.000000000016527 145 0.0 146 0.033390357789920 147 0.0 148 0.0 149 -0.044797865884396 150 0.0 151 0.0 152 -0.000000000002384 153 0.0 154 0.0 155 0.0 156 0.012491692901895 157 0.0 158 0.0 159 -0.016759364680573 160 0.0 161 0.0 162 -0.000000000009041 163 0.0 164 0.0 165 0.0 Sym= 25.3 Ene= 4.6336 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -1.81581639967805 8 0.0 9 0.0 10 3.10284543015765 11 0.0 12 0.0 13 1.38235323423826 14 0.0 15 0.0 16 0.006176196772625 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.65830084492871 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.62612960847036 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.32898835885551 36 0.0 37 -0.097083463059477 38 0.0 39 0.0 40 -0.043417044563748 41 0.0 42 0.0 43 0.17366817829900 44 0.0 45 0.0 46 0.0 47 0.011404106839643 48 0.0 49 0.0 50 0.005100071618383 51 0.0 52 0.0 53 -0.020400286488050 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.34935410648461 63 0.0 64 0.0 65 -0.18836348278253 66 0.0 67 0.0 68 -1.05644594325292 69 0.0 70 0.0 71 0.094341502635022 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.56946217334793 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 2.34329879095221 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.29547878961297 91 0.0 92 -0.31018302213129 93 0.0 94 0.0 95 -0.13871806457597 96 0.0 97 0.0 98 0.55487225834710 99 0.0 100 0.0 101 0.0 102 0.80029818829779 103 0.0 104 0.0 105 0.35790423025312 106 0.0 107 0.0 108 -1.43161692103540 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.19167364759003 118 0.0 119 0.0 120 -0.12943014347227 121 0.0 122 0.0 123 -0.55100895359272 124 0.0 125 0.0 126 -0.089863173943132 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.004531134185889 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.52188678111418 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.51937739776148 146 0.0 147 0.058116439098935 148 0.0 149 0.0 150 0.025990461687214 151 0.0 152 0.0 153 -0.10396184674848 154 0.0 155 0.0 156 0.0 157 0.32894978114075 158 0.0 159 0.0 160 0.14711081436436 161 0.0 162 0.0 163 -0.58844325745301 164 0.0 165 0.0 Sym= 25.2 Ene= 4.6336 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -1.81581639967856 7 0.0 8 0.0 9 3.10284543015839 10 0.0 11 0.0 12 1.38235323423910 13 0.0 14 0.0 15 0.006176196772816 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.65830084492880 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.62612960847058 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.32898835885606 35 0.0 36 -0.097083463059201 37 0.0 38 0.0 39 -0.043417044563632 40 0.0 41 0.0 42 0.17366817829851 43 0.0 44 0.0 45 0.0 46 0.011404106839371 47 0.0 48 0.0 49 0.005100071618264 50 0.0 51 0.0 52 -0.020400286487565 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.34935410648530 62 0.0 63 0.0 64 -0.18836348278337 65 0.0 66 0.0 67 -1.05644594325536 68 0.0 69 0.0 70 0.094341502634801 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.56946217334757 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 2.34329879095203 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.29547878961248 90 0.0 91 -0.31018302213141 92 0.0 93 0.0 94 -0.13871806457603 95 0.0 96 0.0 97 0.55487225834732 98 0.0 99 0.0 100 0.0 101 0.80029818829815 102 0.0 103 0.0 104 0.35790423025329 105 0.0 106 0.0 107 -1.43161692103604 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.19167364759045 117 0.0 118 0.0 119 -0.12943014347262 120 0.0 121 0.0 122 -0.55100895359128 123 0.0 124 0.0 125 -0.089863173942943 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.004531134185874 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.52188678111415 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.51937739776079 145 0.0 146 0.058116439098884 147 0.0 148 0.0 149 0.025990461687191 150 0.0 151 0.0 152 -0.10396184674839 153 0.0 154 0.0 155 0.0 156 0.32894978114079 157 0.0 158 0.0 159 0.14711081436438 160 0.0 161 0.0 162 -0.58844325745307 163 0.0 164 0.0 165 0.0 Sym= 43.1 Ene= 4.8889 Spin= Alpha Occup= 0.000000 1 -0.11216003209827 2 0.001428938143513 3 0.50457646001551 4 2.22118659124053 5 -1.92951953946078 6 0.0 7 0.0 8 -0.059255226423079 9 0.0 10 0.0 11 0.70217365856780 12 0.0 13 0.0 14 0.49588370884237 15 0.0 16 0.0 17 -0.21400685347748 18 -0.35328080721230 19 -0.35328080721230 20 0.70656161442460 21 0.0 22 0.0 23 0.0 24 0.38917539478743 25 0.38917539478743 26 -0.77835078957486 27 0.0 28 0.0 29 0.0 30 -0.10903699495733 31 -0.10903699495733 32 0.21807398991466 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.24089518498801 39 0.0 40 0.0 41 -0.16159740272567 42 0.0 43 0.0 44 -0.16159740272567 45 0.0 46 0.0 47 0.0 48 -0.53765188331418 49 0.0 50 0.0 51 0.36066784779639 52 0.0 53 0.0 54 0.36066784779639 55 0.0 56 0.11168254659475 57 0.91071259842281 58 1.08058360159426 59 -9.00785036506708 60 1.18841216914521 61 0.0 62 0.0 63 1.65808294463701 64 0.0 65 0.0 66 -1.96567543145476 67 0.0 68 0.0 69 -3.25958313647499 70 0.0 71 0.0 72 -0.84770734707350 73 -0.31374152101469 74 -0.31374152101468 75 0.62748304202937 76 0.0 77 0.0 78 0.0 79 1.32690956556756 80 1.32690956556755 81 -2.65381913113511 82 0.0 83 0.0 84 0.0 85 0.41127339483879 86 0.41127339483879 87 -0.82254678967757 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.021780515893352 94 0.0 95 0.0 96 -0.014610814236765 97 0.0 98 0.0 99 -0.014610814236764 100 0.0 101 0.0 102 0.0 103 -0.81022103821338 104 0.0 105 0.0 106 0.54351279547367 107 0.0 108 0.0 109 0.54351279547367 110 0.0 111 0.26479400954751 112 1.35807825584055 113 0.29998235411166 114 5.31272273067915 115 1.25066551730886 116 0.0 117 0.0 118 -0.15626650629540 119 0.0 120 0.0 121 -1.21241002990439 122 0.0 123 0.0 124 -1.71351166967602 125 0.0 126 0.0 127 0.014863851553265 128 0.002228303092770 129 0.002228303092771 130 -0.004456606185541 131 0.0 132 0.0 133 0.0 134 -0.035157170107549 135 -0.035157170107549 136 0.070314340215098 137 0.0 138 0.0 139 0.0 140 0.030654322392597 141 0.030654322392596 142 -0.061308644785194 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.28725556706145 149 0.0 150 0.0 151 0.19269689245940 152 0.0 153 0.0 154 0.19269689245940 155 0.0 156 0.0 157 0.0 158 0.47200909620169 159 0.0 160 0.0 161 -0.31663332753156 162 0.0 163 0.0 164 -0.31663332753156 165 0.0 Sym= 26.2 Ene= 4.8962 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.18796972274311 7 0.0 8 0.0 9 -0.19385675477231 10 0.0 11 0.0 12 0.30900093700149 13 0.0 14 0.0 15 0.052597754971210 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.10835323294736 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.88913099994264 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.007814602029754 35 0.0 36 0.11768509057930 37 0.0 38 0.0 39 0.052630372477806 40 0.0 41 0.0 42 -0.21052148996192 43 0.0 44 0.0 45 0.0 46 0.34685855476957 47 0.0 48 0.0 49 0.15511986141607 50 0.0 51 0.0 52 -0.62047944564133 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.071073452493040 62 0.0 63 0.0 64 0.68093828403016 65 0.0 66 0.0 67 -1.40543856785145 68 0.0 69 0.0 70 0.016669250664301 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.44127920130511 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -1.88102434493932 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.39762569610265 90 0.0 91 -0.41586385906338 92 0.0 93 0.0 94 -0.18597997165576 95 0.0 96 0.0 97 0.74391988660642 98 0.0 99 0.0 100 0.0 101 0.90577952408337 102 0.0 103 0.0 104 0.40507691769856 105 0.0 106 0.0 107 -1.62030767078526 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -2.52109418045755 117 0.0 118 0.0 119 3.17814275225177 120 0.0 121 0.0 122 1.36885334033021 123 0.0 124 0.0 125 0.028124750955389 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.16302290884244 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.50175025303553 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.41926757797297 145 0.0 146 -0.076186009446299 147 0.0 148 0.0 149 -0.034071419214024 150 0.0 151 0.0 152 0.13628567684784 153 0.0 154 0.0 155 0.0 156 0.024137607715207 157 0.0 158 0.0 159 0.010794666332380 160 0.0 161 0.0 162 -0.043178665331635 163 0.0 164 0.0 165 0.0 Sym= 26.3 Ene= 4.8962 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.18796972274338 8 0.0 9 0.0 10 -0.19385675477305 11 0.0 12 0.0 13 0.30900093699939 14 0.0 15 0.0 16 0.052597754971154 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.10835323294763 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.88913099994360 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.007814602029277 36 0.0 37 0.11768509057943 38 0.0 39 0.0 40 0.052630372477864 41 0.0 42 0.0 43 -0.21052148996215 44 0.0 45 0.0 46 0.0 47 0.34685855476967 48 0.0 49 0.0 50 0.15511986141612 51 0.0 52 0.0 53 -0.62047944564151 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.071073452493448 63 0.0 64 0.0 65 0.68093828403117 66 0.0 67 0.0 68 -1.40543856785057 69 0.0 70 0.0 71 0.016669250664271 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.44127920130541 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -1.88102434494005 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.39762569610100 91 0.0 92 -0.41586385906361 93 0.0 94 0.0 95 -0.18597997165587 96 0.0 97 0.0 98 0.74391988660684 99 0.0 100 0.0 101 0.0 102 0.90577952408324 103 0.0 104 0.0 105 0.40507691769850 106 0.0 107 0.0 108 -1.62030767078501 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -2.52109418045640 118 0.0 119 0.0 120 3.17814275225036 121 0.0 122 0.0 123 1.36885334033129 124 0.0 125 0.0 126 0.028124750955582 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.16302290884250 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.50175025303522 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.41926757797349 146 0.0 147 -0.076186009446390 148 0.0 149 0.0 150 -0.034071419214065 151 0.0 152 0.0 153 0.13628567684801 154 0.0 155 0.0 156 0.0 157 0.024137607715308 158 0.0 159 0.0 160 0.010794666332425 161 0.0 162 0.0 163 -0.043178665331817 164 0.0 165 0.0 Sym= 11.4 Ene= 4.9169 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.24022804006888 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 0.033498964878457 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 -0.045861221692091 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 0.10697461346238 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.14700560112686 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 1.08623799122420 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 -0.87810045199935 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 0.30156443336162 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.46475821896098 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.098824444594415 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.013059076561690 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.005060883943064 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.012805900809351 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.16831234274602 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.085713420290784 Sym= 44.1 Ene= 4.9169 Spin= Alpha Occup= 0.000000 1 -0.000000000000001 2 -0.000000000000002 3 0.000000000000001 4 -0.000000000000035 5 -0.000000000000035 6 0.0 7 0.0 8 0.000000000000001 9 0.0 10 0.0 11 -0.000000000000002 12 0.0 13 0.0 14 -0.000000000000018 15 0.0 16 0.0 17 -0.000000000000006 18 0.20804358539991 19 -0.20804358539991 20 0.000000000000002 21 0.0 22 0.0 23 0.0 24 0.029010954584865 25 -0.029010954584862 26 -0.000000000000003 27 0.0 28 0.0 29 0.0 30 -0.039716983034788 31 0.039716983034790 32 -0.000000000000003 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000000000000001 39 0.0 40 0.0 41 0.092642732817683 42 0.0 43 0.0 44 -0.092642732817684 45 0.0 46 0.0 47 0.0 48 -0.000000000000002 49 0.0 50 0.0 51 0.12731058507375 52 0.0 53 0.0 54 -0.12731058507375 55 0.0 56 0.000000000000000 57 0.000000000000002 58 0.000000000000003 59 0.000000000000023 60 0.000000000000040 61 0.0 62 0.0 63 0.000000000000005 64 0.0 65 0.0 66 -0.000000000000006 67 0.0 68 0.0 69 -0.000000000000031 70 0.0 71 0.0 72 -0.000000000000008 73 0.94070969495650 74 -0.94070969495650 75 0.000000000000001 76 0.0 77 0.0 78 0.0 79 -0.76045729850671 80 0.76045729850671 81 -0.000000000000004 82 0.0 83 0.0 84 0.0 85 0.26116246016909 86 -0.26116246016909 87 0.000000000000002 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000001 94 0.0 95 0.0 96 0.40249242423718 97 0.0 98 0.0 99 -0.40249242423719 100 0.0 101 0.0 102 0.0 103 -0.000000000000004 104 0.0 105 0.0 106 -0.085584479536071 107 0.0 108 0.0 109 0.085584479536077 110 0.0 111 0.000000000000001 112 0.000000000000004 113 0.000000000000001 114 0.000000000000012 115 -0.000000000000005 116 0.0 117 0.0 118 -0.000000000000001 119 0.0 120 0.0 121 -0.000000000000002 122 0.0 123 0.0 124 -0.000000000000001 125 0.0 126 0.0 127 0.000000000000003 128 0.011309492052488 129 -0.011309492052488 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 -0.004382854059755 135 0.004382854059755 136 -0.000000000000000 137 0.0 138 0.0 139 0.0 140 0.011090235420495 141 -0.011090235420493 142 -0.000000000000002 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000001 149 0.0 150 0.0 151 -0.14576276458863 152 0.0 153 0.0 154 0.14576276458864 155 0.0 156 0.0 157 0.0 158 0.000000000000001 159 0.0 160 0.0 161 0.074229999415383 162 0.0 163 0.0 164 -0.074229999415385 165 0.0 Sym= 27.3 Ene= 4.9848 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.000000000012221 8 0.0 9 0.0 10 -0.000000000019815 11 0.0 12 0.0 13 -0.000000000003476 14 0.0 15 0.0 16 0.000000000006136 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.000000000002029 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.000000000013484 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.000000000001919 36 0.0 37 -0.76706154756604 38 0.0 39 0.0 40 1.02912105797226 41 0.0 42 0.0 43 -0.000000000001945 44 0.0 45 0.0 46 0.0 47 0.41383439813883 48 0.0 49 0.0 50 -0.55521710739521 51 0.0 52 0.0 53 -0.000000000004474 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.000000000011213 63 0.0 64 0.0 65 0.000000000019360 66 0.0 67 0.0 68 -0.000000000000210 69 0.0 70 0.0 71 -0.000000000009250 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.000000000005586 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -0.000000000018495 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.000000000002894 91 0.0 92 0.57539210035009 93 0.0 94 0.0 95 -0.77196951006347 96 0.0 97 0.0 98 0.000000000003960 99 0.0 100 0.0 101 0.0 102 -0.34839862487701 103 0.0 104 0.0 105 0.46742580509614 106 0.0 107 0.0 108 -0.000000000000673 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.000000000011453 118 0.0 119 0.0 120 0.000000000013181 121 0.0 122 0.0 123 0.000000000003838 124 0.0 125 0.0 126 0.000000000005043 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.000000000001068 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.000000000000439 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.000000000003140 146 0.0 147 0.042112818020478 148 0.0 149 0.0 150 -0.056500274293034 151 0.0 152 0.0 153 0.000000000002314 154 0.0 155 0.0 156 0.0 157 0.027989975874278 158 0.0 159 0.0 160 -0.037552493244943 161 0.0 162 0.0 163 -0.000000000001136 164 0.0 165 0.0 Sym= 27.2 Ene= 4.9848 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.000000000012219 7 0.0 8 0.0 9 0.000000000019812 10 0.0 11 0.0 12 0.000000000003475 13 0.0 14 0.0 15 -0.000000000006136 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.000000000002029 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 0.000000000013483 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.000000000001920 35 0.0 36 0.76706154756604 37 0.0 38 0.0 39 -1.02912105797226 40 0.0 41 0.0 42 0.000000000001945 43 0.0 44 0.0 45 0.0 46 -0.41383439813883 47 0.0 48 0.0 49 0.55521710739521 50 0.0 51 0.0 52 0.000000000004474 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.000000000011212 62 0.0 63 0.0 64 -0.000000000019358 65 0.0 66 0.0 67 0.000000000000216 68 0.0 69 0.0 70 0.000000000009250 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000000000005586 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.000000000018495 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.000000000002892 90 0.0 91 -0.57539210035009 92 0.0 93 0.0 94 0.77196951006346 95 0.0 96 0.0 97 -0.000000000003961 98 0.0 99 0.0 100 0.0 101 0.34839862487700 102 0.0 103 0.0 104 -0.46742580509613 105 0.0 106 0.0 107 0.000000000000676 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.000000000011453 117 0.0 118 0.0 119 -0.000000000013181 120 0.0 121 0.0 122 -0.000000000003843 123 0.0 124 0.0 125 -0.000000000005043 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.000000000001068 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.000000000000439 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.000000000003142 145 0.0 146 -0.042112818020477 147 0.0 148 0.0 149 0.056500274293033 150 0.0 151 0.0 152 -0.000000000002314 153 0.0 154 0.0 155 0.0 156 -0.027989975874277 157 0.0 158 0.0 159 0.037552493244942 160 0.0 161 0.0 162 0.000000000001135 163 0.0 164 0.0 165 0.0 Sym= 45.1 Ene= 5.1865 Spin= Alpha Occup= 0.000000 1 0.26442023699069 2 0.97178272992676 3 -0.12816323505397 4 6.49990871445982 5 4.24448971659746 6 0.0 7 0.0 8 0.13618369801236 9 0.0 10 0.0 11 1.52940733703744 12 0.0 13 0.0 14 3.74966818471599 15 0.0 16 0.0 17 0.57201090440360 18 0.20823149157596 19 0.20823149157597 20 -0.41646298315193 21 0.0 22 0.0 23 0.0 24 -0.72363866344688 25 -0.72363866344688 26 1.44727732689376 27 0.0 28 0.0 29 0.0 30 -0.20339702757513 31 -0.20339702757513 32 0.40679405515026 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.83931536585145 39 0.0 40 0.0 41 -0.56302986378118 42 0.0 43 0.0 44 -0.56302986378119 45 0.0 46 0.0 47 0.0 48 -0.10439420029271 49 0.0 50 0.0 51 0.070029758493366 52 0.0 53 0.0 54 0.070029758493366 55 0.0 56 -0.25525433212442 57 -1.01932349533362 58 -0.077359074174558 59 -8.15085520831594 60 -4.91232197530089 61 0.0 62 0.0 63 0.35081509983953 64 0.0 65 0.0 66 1.87767346279618 67 0.0 68 0.0 69 1.60394964903242 70 0.0 71 0.0 72 1.09388043733351 73 -0.11847559465181 74 -0.11847559465181 75 0.23695118930362 76 0.0 77 0.0 78 0.0 79 0.42352273251314 80 0.42352273251314 81 -0.84704546502628 82 0.0 83 0.0 84 0.0 85 0.21185728997842 86 0.21185728997842 87 -0.42371457995683 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.89939556858119 94 0.0 95 0.0 96 -0.60333288900289 97 0.0 98 0.0 99 -0.60333288900289 100 0.0 101 0.0 102 0.0 103 -0.35405995099058 104 0.0 105 0.0 106 0.23751063555756 107 0.0 108 0.0 109 0.23751063555756 110 0.0 111 -0.068175157716905 112 -0.39772026024890 113 0.056154794345312 114 1.41510012789776 115 1.18663782320215 116 0.0 117 0.0 118 0.65642911630642 119 0.0 120 0.0 121 -0.14405124172060 122 0.0 123 0.0 124 -0.74643415227966 125 0.0 126 0.0 127 -0.56481587492585 128 -0.10496646328646 129 -0.10496646328646 130 0.20993292657293 131 0.0 132 0.0 133 0.0 134 0.26017268282064 135 0.26017268282064 136 -0.52034536564129 137 0.0 138 0.0 139 0.0 140 -0.099379874669333 141 -0.099379874669333 142 0.19875974933867 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.034368786230413 149 0.0 150 0.0 151 -0.023055282694609 152 0.0 153 0.0 154 -0.023055282694608 155 0.0 156 0.0 157 0.0 158 0.14816192337765 159 0.0 160 0.0 161 -0.099390039704861 162 0.0 163 0.0 164 -0.099390039704862 165 0.0 Sym= 12.4 Ene= 5.2494 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 1.10339788569925 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -1.30279815114739 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.28623902789987 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.57007962985494 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 -0.16126760795207 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.17527661098001 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.37937219665432 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.26255242052091 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.14194111109012 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.83297335290875 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.061331385919640 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 0.17825760830946 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.33984059708081 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.002732944497668 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 -0.32584334587451 Sym= 46.1 Ene= 5.2494 Spin= Alpha Occup= 0.000000 1 0.000000000000000 2 -0.000000000000000 3 -0.000000000000000 4 -0.000000000000019 5 -0.000000000000004 6 0.0 7 0.0 8 0.000000000000001 9 0.0 10 0.0 11 -0.000000000000001 12 0.0 13 0.0 14 -0.000000000000007 15 0.0 16 0.0 17 -0.000000000000001 18 0.95557059949621 19 -0.95557059949621 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 -1.12825629489718 25 1.12825629489718 26 -0.000000000000000 27 0.0 28 0.0 29 0.0 30 0.24789026971788 31 -0.24789026971788 32 -0.000000000000001 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.000000000000001 39 0.0 40 0.0 41 -0.49370344163726 42 0.0 43 0.0 44 0.49370344163725 45 0.0 46 0.0 47 0.0 48 -0.000000000000001 49 0.0 50 0.0 51 -0.13966184529226 52 0.0 53 0.0 54 0.13966184529227 55 0.0 56 -0.000000000000000 57 -0.000000000000000 58 0.000000000000002 59 0.000000000000009 60 0.000000000000004 61 0.0 62 0.0 63 0.000000000000003 64 0.0 65 0.0 66 -0.000000000000002 67 0.0 68 0.0 69 -0.000000000000019 70 0.0 71 0.0 72 0.000000000000000 73 -0.15179399779586 74 0.15179399779586 75 0.000000000000001 76 0.0 77 0.0 78 0.0 79 0.32854595978980 80 -0.32854595978980 81 -0.000000000000003 82 0.0 83 0.0 84 0.0 85 -0.22737706599891 86 0.22737706599891 87 0.000000000000002 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.000000000000001 94 0.0 95 0.0 96 -0.12292460804767 97 0.0 98 0.0 99 0.12292460804767 100 0.0 101 0.0 102 0.0 103 -0.000000000000003 104 0.0 105 0.0 106 -0.72137608429543 107 0.0 108 0.0 109 0.72137608429543 110 0.0 111 -0.000000000000000 112 0.000000000000002 113 0.000000000000001 114 0.000000000000007 115 0.000000000000001 116 0.0 117 0.0 118 0.000000000000001 119 0.0 120 0.0 121 -0.000000000000001 122 0.0 123 0.0 124 -0.000000000000001 125 0.0 126 0.0 127 -0.000000000000001 128 0.053114538256151 129 -0.053114538256151 130 0.000000000000000 131 0.0 132 0.0 133 0.0 134 0.15437561721402 135 -0.15437561721402 136 -0.000000000000001 137 0.0 138 0.0 139 0.0 140 0.29431059031153 141 -0.29431059031153 142 -0.000000000000001 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000001 149 0.0 150 0.0 151 -0.002366799361818 152 0.0 153 0.0 154 0.002366799361819 155 0.0 156 0.0 157 0.0 158 0.000000000000001 159 0.0 160 0.0 161 -0.28218861518391 162 0.0 163 0.0 164 0.28218861518391 165 0.0 Sym= 28.3 Ene= 5.3918 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.97879825568658 8 0.0 9 0.0 10 -2.43363779508261 11 0.0 12 0.0 13 -5.85744268121977 14 0.0 15 0.0 16 -0.32937375928293 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.45477352972761 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -2.36178994900594 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -1.90678975809569 36 0.0 37 0.018467116225538 38 0.0 39 0.0 40 0.008258745442236 41 0.0 42 0.0 43 -0.033034981779451 44 0.0 45 0.0 46 0.0 47 0.50028340334723 48 0.0 49 0.0 50 0.22373353958052 51 0.0 52 0.0 53 -0.89493415832012 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -1.78944507812208 63 0.0 64 0.0 65 3.39832330561748 66 0.0 67 0.0 68 6.05745008401894 69 0.0 70 0.0 71 0.24526796142681 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.61991617684762 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -1.56525890663347 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -2.65541855191356 91 0.0 92 -0.27601902535760 93 0.0 94 0.0 95 -0.12343946075189 96 0.0 97 0.0 98 0.49375784302159 99 0.0 100 0.0 101 0.0 102 -0.90302145884928 103 0.0 104 0.0 105 -0.40384347342760 106 0.0 107 0.0 108 1.61537389370441 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 1.76499439990655 118 0.0 119 0.0 120 -2.33754389531713 121 0.0 122 0.0 123 -0.27021504381692 124 0.0 125 0.0 126 0.065857922573094 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.014654204692570 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.69330364467420 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.20145648976480 146 0.0 147 -0.21601196781302 148 0.0 149 0.0 150 -0.096603488788681 151 0.0 152 0.0 153 0.38641395517872 154 0.0 155 0.0 156 0.0 157 0.34028028530371 158 0.0 159 0.0 160 0.15217796986610 161 0.0 162 0.0 163 -0.60871187947137 164 0.0 165 0.0 Sym= 28.2 Ene= 5.3918 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.97879825568612 7 0.0 8 0.0 9 -2.43363779508146 10 0.0 11 0.0 12 -5.85744268121734 13 0.0 14 0.0 15 -0.32937375928315 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.45477352972701 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -2.36178994900474 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -1.90678975809537 35 0.0 36 0.018467116225121 37 0.0 38 0.0 39 0.008258745442050 40 0.0 41 0.0 42 -0.033034981778706 43 0.0 44 0.0 45 0.0 46 0.50028340334733 47 0.0 48 0.0 49 0.22373353958056 50 0.0 51 0.0 52 -0.89493415832031 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -1.78944507812211 62 0.0 63 0.0 64 3.39832330561729 65 0.0 66 0.0 67 6.05745008401731 68 0.0 69 0.0 70 0.24526796142721 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.61991617684798 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -1.56525890663288 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -2.65541855191196 90 0.0 91 -0.27601902535780 92 0.0 93 0.0 94 -0.12343946075198 95 0.0 96 0.0 97 0.49375784302196 98 0.0 99 0.0 100 0.0 101 -0.90302145884862 102 0.0 103 0.0 104 -0.40384347342731 105 0.0 106 0.0 107 1.61537389370323 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 1.76499439990533 117 0.0 118 0.0 119 -2.33754389531560 120 0.0 121 0.0 122 -0.27021504381741 123 0.0 124 0.0 125 0.065857922572778 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.014654204692656 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.69330364467430 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.20145648976507 145 0.0 146 -0.21601196781317 147 0.0 148 0.0 149 -0.096603488788749 150 0.0 151 0.0 152 0.38641395517899 153 0.0 154 0.0 155 0.0 156 0.34028028530395 157 0.0 158 0.0 159 0.15217796986621 160 0.0 161 0.0 162 -0.60871187947180 163 0.0 164 0.0 165 0.0 Sym= 47.1 Ene= 5.5991 Spin= Alpha Occup= 0.000000 1 0.000000000000000 2 0.000000000000000 3 0.000000000000001 4 0.000000000000004 5 -0.000000000000004 6 0.0 7 0.0 8 0.000000000000002 9 0.0 10 0.0 11 -0.000000000000003 12 0.0 13 0.0 14 -0.000000000000002 15 0.0 16 0.0 17 -0.000000000000002 18 0.36784791770811 19 -0.36784791770811 20 -0.000000000000000 21 0.0 22 0.0 23 0.0 24 -0.41465372170711 25 0.41465372170711 26 -0.000000000000001 27 0.0 28 0.0 29 0.0 30 -0.23963794992674 31 0.23963794992674 32 -0.000000000000001 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000001 39 0.0 40 0.0 41 0.76965820513843 42 0.0 43 0.0 44 -0.76965820513843 45 0.0 46 0.0 47 0.0 48 -0.000000000000001 49 0.0 50 0.0 51 -0.62508852005958 52 0.0 53 0.0 54 0.62508852005958 55 0.0 56 0.000000000000000 57 0.000000000000001 58 0.000000000000001 59 0.000000000000001 60 0.000000000000007 61 0.0 62 0.0 63 -0.000000000000002 64 0.0 65 0.0 66 -0.000000000000002 67 0.0 68 0.0 69 0.000000000000010 70 0.0 71 0.0 72 0.000000000000001 73 -0.45151850963494 74 0.45151850963494 75 0.000000000000000 76 0.0 77 0.0 78 0.0 79 0.56676166079021 80 -0.56676166079021 81 -0.000000000000000 82 0.0 83 0.0 84 0.0 85 0.23904730781686 86 -0.23904730781686 87 0.000000000000001 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000001 94 0.0 95 0.0 96 0.68649052899410 97 0.0 98 0.0 99 -0.68649052899410 100 0.0 101 0.0 102 0.0 103 0.000000000000002 104 0.0 105 0.0 106 -0.50261256079872 107 0.0 108 0.0 109 0.50261256079872 110 0.0 111 -0.000000000000000 112 -0.000000000000000 113 -0.000000000000000 114 -0.000000000000004 115 -0.000000000000004 116 0.0 117 0.0 118 0.000000000000001 119 0.0 120 0.0 121 -0.000000000000001 122 0.0 123 0.0 124 -0.000000000000001 125 0.0 126 0.0 127 0.000000000000000 128 0.032192683045972 129 -0.032192683045971 130 -0.000000000000000 131 0.0 132 0.0 133 0.0 134 -0.041797688399238 135 0.041797688399237 136 0.000000000000001 137 0.0 138 0.0 139 0.0 140 -0.020842653480851 141 0.020842653480850 142 0.000000000000001 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000000 149 0.0 150 0.0 151 -0.21328796523162 152 0.0 153 0.0 154 0.21328796523163 155 0.0 156 0.0 157 0.0 158 -0.000000000000000 159 0.0 160 0.0 161 0.23915051273178 162 0.0 163 0.0 164 -0.23915051273178 165 0.0 Sym= 13.4 Ene= 5.5991 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.42475418861509 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.47880087569150 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 -0.27671006980069 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 0.88872474384342 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 -0.72179005064934 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 -0.52136866616435 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.65443999484879 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 0.27602805503811 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.79269098342219 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.58036699454817 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.037172908444887 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.048263813297843 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 -0.024067023198840 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.24628372828185 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.27614722580723 Sym= 29.3 Ene= 5.6569 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -1.52269105982818 8 0.0 9 0.0 10 2.89485758074790 11 0.0 12 0.0 13 3.97973303223351 14 0.0 15 0.0 16 -0.16589334369085 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.78805048667995 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 2.62591013777030 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.75653749083692 36 0.0 37 -0.58520690000930 38 0.0 39 0.0 40 -0.26171248186218 41 0.0 42 0.0 43 1.04684992745580 44 0.0 45 0.0 46 0.0 47 -0.22053372662951 48 0.0 49 0.0 50 -0.098625680815228 51 0.0 52 0.0 53 0.39450272326019 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.38233569553662 63 0.0 64 0.0 65 -1.20616444163737 66 0.0 67 0.0 68 -2.34335862219734 69 0.0 70 0.0 71 0.34934416685390 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.14456864880468 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 2.70339761538164 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 2.06333242915463 91 0.0 92 -0.094292791273511 93 0.0 94 0.0 95 -0.042169018213858 96 0.0 97 0.0 98 0.16867607285932 99 0.0 100 0.0 101 0.0 102 0.58156308554426 103 0.0 104 0.0 105 0.26008291849460 106 0.0 107 0.0 108 -1.04033167398349 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.15836663938891 118 0.0 119 0.0 120 -0.10998708642626 121 0.0 122 0.0 123 -1.52497317599771 124 0.0 125 0.0 126 -0.38012129645745 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.085609672234675 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.50535996978396 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.68720361026865 146 0.0 147 -0.15270275144205 148 0.0 149 0.0 150 -0.068290746523207 151 0.0 152 0.0 153 0.27316298606861 154 0.0 155 0.0 156 0.0 157 0.39394706799620 158 0.0 159 0.0 160 0.17617848471887 161 0.0 162 0.0 163 -0.70471393886461 164 0.0 165 0.0 Sym= 29.2 Ene= 5.6569 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -1.52269105982926 7 0.0 8 0.0 9 2.89485758075033 10 0.0 11 0.0 12 3.97973303223895 13 0.0 14 0.0 15 -0.16589334369046 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.78805048668028 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 2.62591013777242 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.75653749083883 35 0.0 36 -0.58520690000924 37 0.0 38 0.0 39 -0.26171248186215 40 0.0 41 0.0 42 1.04684992745571 43 0.0 44 0.0 45 0.0 46 -0.22053372663002 47 0.0 48 0.0 49 -0.098625680815460 50 0.0 51 0.0 52 0.39450272326111 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.38233569553814 62 0.0 63 0.0 64 -1.20616444164018 65 0.0 66 0.0 67 -2.34335862220336 68 0.0 69 0.0 70 0.34934416685354 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.14456864880416 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 2.70339761538333 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 2.06333242915673 90 0.0 91 -0.094292791273378 92 0.0 93 0.0 94 -0.042169018213799 95 0.0 96 0.0 97 0.16867607285908 98 0.0 99 0.0 100 0.0 101 0.58156308554514 102 0.0 103 0.0 104 0.26008291849499 105 0.0 106 0.0 107 -1.04033167398506 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.15836663938793 117 0.0 118 0.0 119 -0.10998708642487 120 0.0 121 0.0 122 -1.52497317599722 123 0.0 124 0.0 125 -0.38012129645741 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.085609672234698 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.50535996978355 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.68720361026832 145 0.0 146 -0.15270275144188 147 0.0 148 0.0 149 -0.068290746523131 150 0.0 151 0.0 152 0.27316298606831 153 0.0 154 0.0 155 0.0 156 0.39394706799599 157 0.0 158 0.0 159 0.17617848471877 160 0.0 161 0.0 162 -0.70471393886423 163 0.0 164 0.0 165 0.0 Sym= 48.1 Ene= 6.1130 Spin= Alpha Occup= 0.000000 1 -0.27161519933285 2 -1.02437871689751 3 -0.49072885357267 4 5.19993283348555 5 1.90705160459348 6 0.0 7 0.0 8 -1.79692083276343 9 0.0 10 0.0 11 3.11984313497198 12 0.0 13 0.0 14 5.42077935779459 15 0.0 16 0.0 17 0.56478876128533 18 0.20274875520344 19 0.20274875520344 20 -0.40549751040688 21 0.0 22 0.0 23 0.0 24 -1.29201063088429 25 -1.29201063088429 26 2.58402126176857 27 0.0 28 0.0 29 0.0 30 -0.65686525912034 31 -0.65686525912034 32 1.31373051824069 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.35820073154684 39 0.0 40 0.0 41 -0.24028835559867 42 0.0 43 0.0 44 -0.24028835559867 45 0.0 46 0.0 47 0.0 48 0.79127361734616 49 0.0 50 0.0 51 -0.53080247915645 52 0.0 53 0.0 54 -0.53080247915645 55 0.0 56 -0.55756701196197 57 -1.88354259950480 58 -0.35574961268756 59 5.58346248410104 60 0.49293562051288 61 0.0 62 0.0 63 -0.88526001365610 64 0.0 65 0.0 66 6.93770476295791 67 0.0 68 0.0 69 4.08799560982567 70 0.0 71 0.0 72 0.30560854414659 73 -0.050303851135062 74 -0.050303851135062 75 0.10060770227012 76 0.0 77 0.0 78 0.0 79 -0.91657018809383 80 -0.91657018809383 81 1.83314037618765 82 0.0 83 0.0 84 0.0 85 -1.01974640700331 86 -1.01974640700331 87 2.03949281400662 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.14537291215509 94 0.0 95 0.0 96 -0.097519114099770 97 0.0 98 0.0 99 -0.097519114099769 100 0.0 101 0.0 102 0.0 103 -0.21792613374298 104 0.0 105 0.0 106 0.14618929473690 107 0.0 108 0.0 109 0.14618929473690 110 0.0 111 0.27507371790888 112 0.70706346848337 113 0.038431769761962 114 -11.4282908220994 115 -2.67843430422423 116 0.0 117 0.0 118 -2.81949416997493 119 0.0 120 0.0 121 4.88175711854199 122 0.0 123 0.0 124 5.95081783356455 125 0.0 126 0.0 127 0.38890023394901 128 0.014010761680517 129 0.014010761680517 130 -0.028021523361034 131 0.0 132 0.0 133 0.0 134 0.89129702374976 135 0.89129702374976 136 -1.78259404749951 137 0.0 138 0.0 139 0.0 140 0.61923563362233 141 0.61923563362234 142 -1.23847126724467 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.32757026020968 149 0.0 150 0.0 151 0.21974081077084 152 0.0 153 0.0 154 0.21974081077084 155 0.0 156 0.0 157 0.0 158 0.74781983177561 159 0.0 160 0.0 161 -0.50165279363182 162 0.0 163 0.0 164 -0.50165279363182 165 0.0 Sym= 49.1 Ene= 6.4680 Spin= Alpha Occup= 0.000000 1 -0.19936929298551 2 -0.98515414843213 3 -0.57007026227848 4 6.73136312342695 5 2.85656042546684 6 0.0 7 0.0 8 -1.63728542459305 9 0.0 10 0.0 11 1.71764775445313 12 0.0 13 0.0 14 3.49543325991529 15 0.0 16 0.0 17 0.32701137620926 18 -0.055300185808595 19 -0.055300185808595 20 0.11060037161719 21 0.0 22 0.0 23 0.0 24 -0.40786034804673 25 -0.40786034804673 26 0.81572069609346 27 0.0 28 0.0 29 0.0 30 -0.047344200785143 31 -0.047344200785142 32 0.094688401570286 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 1.00684344510201 39 0.0 40 0.0 41 -0.67541111578445 42 0.0 43 0.0 44 -0.67541111578445 45 0.0 46 0.0 47 0.0 48 -0.35199439992930 49 0.0 50 0.0 51 0.23612502178235 52 0.0 53 0.0 54 0.23612502178235 55 0.0 56 -0.11537375057972 57 -1.18594401653713 58 -1.04593576181524 59 -1.90812307383126 60 -2.43617930154371 61 0.0 62 0.0 63 1.72377078060693 64 0.0 65 0.0 66 -0.74453743756675 67 0.0 68 0.0 69 4.83573531512736 70 0.0 71 0.0 72 0.99947608809718 73 0.30265953436851 74 0.30265953436851 75 -0.60531906873701 76 0.0 77 0.0 78 0.0 79 -0.61125761821255 80 -0.61125761821255 81 1.22251523642511 82 0.0 83 0.0 84 0.0 85 -0.19220093264094 86 -0.19220093264094 87 0.38440186528187 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.13933854974849 94 0.0 95 0.0 96 0.093471140737160 97 0.0 98 0.0 99 0.093471140737159 100 0.0 101 0.0 102 0.0 103 -0.22824974552422 104 0.0 105 0.0 106 0.15311458405175 107 0.0 108 0.0 109 0.15311458405176 110 0.0 111 -0.006486230942220 112 -0.044555758547744 113 -0.045032927453387 114 -3.52132714805498 115 -0.54700777037029 116 0.0 117 0.0 118 -0.30197600191539 119 0.0 120 0.0 121 0.68109880018440 122 0.0 123 0.0 124 0.50633629847886 125 0.0 126 0.0 127 -0.19641332995430 128 0.14780597406921 129 0.14780597406921 130 -0.29561194813843 131 0.0 132 0.0 133 0.0 134 -0.15304931492411 135 -0.15304931492411 136 0.30609862984821 137 0.0 138 0.0 139 0.0 140 -0.25235097214528 141 -0.25235097214528 142 0.50470194429055 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.57197275448843 149 0.0 150 0.0 151 -0.38369098809418 152 0.0 153 0.0 154 -0.38369098809418 155 0.0 156 0.0 157 0.0 158 -0.70601301687100 159 0.0 160 0.0 161 0.47360792961698 162 0.0 163 0.0 164 0.47360792961698 165 0.0 Sym= 30.2 Ene= 6.4991 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.000000000016827 7 0.0 8 0.0 9 -0.000000000040226 10 0.0 11 0.0 12 -0.000000000108620 13 0.0 14 0.0 15 -0.000000000008842 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.000000000001401 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.000000000035294 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.000000000034176 35 0.0 36 0.025748024753578 37 0.0 38 0.0 39 -0.034544600163165 40 0.0 41 0.0 42 -0.000000000018044 43 0.0 44 0.0 45 0.0 46 -0.054741865317822 47 0.0 48 0.0 49 0.073443919245517 50 0.0 51 0.0 52 -0.000000000006044 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.000000000015366 62 0.0 63 0.0 64 0.000000000040469 65 0.0 66 0.0 67 0.000000000100072 68 0.0 69 0.0 70 0.000000000007153 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.000000000009045 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -0.000000000018033 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -0.000000000059471 90 0.0 91 -0.087220540170440 92 0.0 93 0.0 94 0.11701863410177 95 0.0 96 0.0 97 0.000000000011442 98 0.0 99 0.0 100 0.0 101 0.13905381447009 102 0.0 103 0.0 104 -0.18656026903861 105 0.0 106 0.0 107 0.000000000027149 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.000000000020436 117 0.0 118 0.0 119 -0.000000000032240 120 0.0 121 0.0 122 0.000000000005864 123 0.0 124 0.0 125 0.000000000002516 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.000000000005004 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.000000000012132 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.000000000000978 145 0.0 146 0.95032703019594 147 0.0 148 0.0 149 -1.27499750423267 150 0.0 151 0.0 152 0.000000000008499 153 0.0 154 0.0 155 0.0 156 -0.47898950085324 157 0.0 158 0.0 159 0.64263185065787 160 0.0 161 0.0 162 -0.000000000007952 163 0.0 164 0.0 165 0.0 Sym= 30.3 Ene= 6.4991 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.000000000016824 8 0.0 9 0.0 10 0.000000000040222 11 0.0 12 0.0 13 0.000000000108617 14 0.0 15 0.0 16 0.000000000008842 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.000000000001401 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 0.000000000035293 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.000000000034175 36 0.0 37 -0.025748024753578 38 0.0 39 0.0 40 0.034544600163166 41 0.0 42 0.0 43 0.000000000018043 44 0.0 45 0.0 46 0.0 47 0.054741865317823 48 0.0 49 0.0 50 -0.073443919245518 51 0.0 52 0.0 53 0.000000000006043 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.000000000015366 63 0.0 64 0.0 65 -0.000000000040468 66 0.0 67 0.0 68 -0.000000000100066 69 0.0 70 0.0 71 -0.000000000007152 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 0.000000000009046 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.000000000018030 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.000000000059474 91 0.0 92 0.087220540170441 93 0.0 94 0.0 95 -0.11701863410177 96 0.0 97 0.0 98 -0.000000000011442 99 0.0 100 0.0 101 0.0 102 -0.13905381447009 103 0.0 104 0.0 105 0.18656026903861 106 0.0 107 0.0 108 -0.000000000027147 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.000000000020438 118 0.0 119 0.0 120 0.000000000032243 121 0.0 122 0.0 123 -0.000000000005868 124 0.0 125 0.0 126 -0.000000000002516 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 0.000000000005004 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.000000000012133 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.000000000000976 146 0.0 147 -0.95032703019594 148 0.0 149 0.0 150 1.27499750423267 151 0.0 152 0.0 153 -0.000000000008498 154 0.0 155 0.0 156 0.0 157 0.47898950085324 158 0.0 159 0.0 160 -0.64263185065787 161 0.0 162 0.0 163 0.000000000007952 164 0.0 165 0.0 Sym= 31.2 Ene= 6.6692 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.37295225668696 7 0.0 8 0.0 9 -0.85129132014267 10 0.0 11 0.0 12 0.47838697723196 13 0.0 14 0.0 15 0.14342979504824 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 -0.49339297324682 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.15222141391448 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.33006173939211 35 0.0 36 0.52302272674719 37 0.0 38 0.0 39 0.23390287415763 40 0.0 41 0.0 42 -0.93561149662804 43 0.0 44 0.0 45 0.0 46 -0.21708116268765 47 0.0 48 0.0 49 -0.097081647282823 50 0.0 51 0.0 52 0.38832658912539 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 -0.72826222734133 62 0.0 63 0.0 64 1.63924922054011 65 0.0 66 0.0 67 0.93029974414609 68 0.0 69 0.0 70 -0.21226082852097 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.81173138582073 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 0.91503823148412 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.58770312598636 90 0.0 91 -0.40162344288061 92 0.0 93 0.0 94 -0.17961146393023 95 0.0 96 0.0 97 0.71844585571335 98 0.0 99 0.0 100 0.0 101 -0.26248337235228 102 0.0 103 0.0 104 -0.11738613270421 105 0.0 106 0.0 107 0.46954453083006 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.36709574871220 117 0.0 118 0.0 119 -0.71355475988842 120 0.0 121 0.0 122 -1.61722584441668 123 0.0 124 0.0 125 -0.002631790310296 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.19272988382647 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 0.78486593999281 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.75124127041340 145 0.0 146 -0.38215844215360 147 0.0 148 0.0 149 -0.17090645094276 150 0.0 151 0.0 152 0.68362580384128 153 0.0 154 0.0 155 0.0 156 0.47874298669785 157 0.0 158 0.0 159 0.21410037238882 160 0.0 161 0.0 162 -0.85640148959341 163 0.0 164 0.0 165 0.0 Sym= 31.3 Ene= 6.6692 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.37295225668684 8 0.0 9 0.0 10 -0.85129132014248 11 0.0 12 0.0 13 0.47838697723205 14 0.0 15 0.0 16 0.14342979504824 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 -0.49339297324686 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.15222141391432 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.33006173939211 36 0.0 37 0.52302272674717 38 0.0 39 0.0 40 0.23390287415762 41 0.0 42 0.0 43 -0.93561149662800 44 0.0 45 0.0 46 0.0 47 -0.21708116268769 48 0.0 49 0.0 50 -0.097081647282838 51 0.0 52 0.0 53 0.38832658912545 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 -0.72826222734125 63 0.0 64 0.0 65 1.63924922053994 66 0.0 67 0.0 68 0.93029974414622 69 0.0 70 0.0 71 -0.21226082852095 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.81173138582075 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 0.91503823148433 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.58770312598644 91 0.0 92 -0.40162344288059 93 0.0 94 0.0 95 -0.17961146393022 96 0.0 97 0.0 98 0.71844585571333 99 0.0 100 0.0 101 0.0 102 -0.26248337235230 103 0.0 104 0.0 105 -0.11738613270422 106 0.0 107 0.0 108 0.46954453083010 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.36709574871229 118 0.0 119 0.0 120 -0.71355475988853 121 0.0 122 0.0 123 -1.61722584441688 124 0.0 125 0.0 126 -0.002631790310333 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.19272988382640 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 0.78486593999280 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.75124127041351 146 0.0 147 -0.38215844215360 148 0.0 149 0.0 150 -0.17090645094277 151 0.0 152 0.0 153 0.68362580384130 154 0.0 155 0.0 156 0.0 157 0.47874298669786 158 0.0 159 0.0 160 0.21410037238882 161 0.0 162 0.0 163 -0.85640148959344 164 0.0 165 0.0 Sym= 50.1 Ene= 6.8294 Spin= Alpha Occup= 0.000000 1 0.000000000000004 2 0.000000000000008 3 -0.000000000000003 4 -0.000000000000050 5 -0.000000000000007 6 0.0 7 0.0 8 0.000000000000001 9 0.0 10 0.0 11 -0.000000000000018 12 0.0 13 0.0 14 -0.000000000000031 15 0.0 16 0.0 17 -0.000000000000001 18 0.11759329529685 19 -0.11759329529685 20 -0.000000000000006 21 0.0 22 0.0 23 0.0 24 -0.26045263589010 25 0.26045263589011 26 -0.000000000000011 27 0.0 28 0.0 29 0.0 30 0.017030808849981 31 -0.017030808849973 32 -0.000000000000008 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000003 39 0.0 40 0.0 41 0.12628184063820 42 0.0 43 0.0 44 -0.12628184063820 45 0.0 46 0.0 47 0.0 48 -0.000000000000002 49 0.0 50 0.0 51 -0.15078038651210 52 0.0 53 0.0 54 0.15078038651210 55 0.0 56 0.000000000000001 57 0.000000000000004 58 0.000000000000003 59 -0.000000000000034 60 -0.000000000000018 61 0.0 62 0.0 63 0.000000000000010 64 0.0 65 0.0 66 -0.000000000000057 67 0.0 68 0.0 69 -0.000000000000047 70 0.0 71 0.0 72 -0.000000000000007 73 0.044120126782887 74 -0.044120126782892 75 0.000000000000005 76 0.0 77 0.0 78 0.0 79 -0.13210844617956 80 0.13210844617958 81 -0.000000000000013 82 0.0 83 0.0 84 0.0 85 -0.19706289963495 86 0.19706289963496 87 -0.000000000000011 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000008 94 0.0 95 0.0 96 0.37215769584544 97 0.0 98 0.0 99 -0.37215769584543 100 0.0 101 0.0 102 0.0 103 0.000000000000004 104 0.0 105 0.0 106 -0.60677379705494 107 0.0 108 0.0 109 0.60677379705494 110 0.0 111 -0.000000000000000 112 0.000000000000001 113 -0.000000000000002 114 0.000000000000083 115 0.000000000000033 116 0.0 117 0.0 118 0.000000000000011 119 0.0 120 0.0 121 -0.000000000000030 122 0.0 123 0.0 124 -0.000000000000045 125 0.0 126 0.0 127 -0.000000000000003 128 0.21280067888735 129 -0.21280067888735 130 -0.000000000000004 131 0.0 132 0.0 133 0.0 134 -0.072648276692539 135 0.072648276692522 136 0.000000000000017 137 0.0 138 0.0 139 0.0 140 0.43205144204166 141 -0.43205144204167 142 0.000000000000006 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000003 149 0.0 150 0.0 151 1.04019301407653 152 0.0 153 0.0 154 -1.04019301407653 155 0.0 156 0.0 157 0.0 158 -0.000000000000002 159 0.0 160 0.0 161 -0.74587626060587 162 0.0 163 0.0 164 0.74587626060588 165 0.0 Sym= 14.4 Ene= 6.8294 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.13578504138795 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 -0.30074479888393 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.019665484147390 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 0.14581770937168 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 -0.17410619348254 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.050945534149436 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 -0.15254569392824 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.22754863630303 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 0.42973069175440 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 -0.70064203013452 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.24572105847936 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -0.083887004208964 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.49889003273330 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 1.20111143337260 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 -0.86126371968663 Sym= 51.1 Ene= 6.9228 Spin= Alpha Occup= 0.000000 1 -0.59555993847059 2 -1.19685261319266 3 0.38164971529815 4 4.73972989145379 5 -0.27936444323110 6 0.0 7 0.0 8 -0.12957135915049 9 0.0 10 0.0 11 2.30131007707447 12 0.0 13 0.0 14 3.28871395767537 15 0.0 16 0.0 17 -0.048584271565093 18 -0.40988340349570 19 -0.40988340349570 20 0.81976680699141 21 0.0 22 0.0 23 0.0 24 -0.67667655167285 25 -0.67667655167285 26 1.35335310334570 27 0.0 28 0.0 29 0.0 30 -0.46605150575320 31 -0.46605150575320 32 0.93210301150639 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.50638057394047 39 0.0 40 0.0 41 -0.33969041574487 42 0.0 43 0.0 44 -0.33969041574487 45 0.0 46 0.0 47 0.0 48 0.21546210128497 49 0.0 50 0.0 51 -0.14453637151444 52 0.0 53 0.0 54 -0.14453637151444 55 0.0 56 -0.13508279361121 57 -0.50700302468257 58 -0.21249903019588 59 5.69399474792605 60 3.39888526083335 61 0.0 62 0.0 63 -1.08667377570336 64 0.0 65 0.0 66 7.31241548947835 67 0.0 68 0.0 69 4.38805507134599 70 0.0 71 0.0 72 0.51870975889611 73 0.29899987481743 74 0.29899987481743 75 -0.59799974963486 76 0.0 77 0.0 78 0.0 79 -0.88057656116579 80 -0.88057656116579 81 1.76115312233159 82 0.0 83 0.0 84 0.0 85 -0.78482933692856 86 -0.78482933692855 87 1.56965867385711 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 1.12803495503260 94 0.0 95 0.0 96 -0.75670885213464 97 0.0 98 0.0 99 -0.75670885213465 100 0.0 101 0.0 102 0.0 103 -0.71388434694431 104 0.0 105 0.0 106 0.47888817835216 107 0.0 108 0.0 109 0.47888817835216 110 0.0 111 -0.011099966067745 112 -0.044912190590035 113 0.37378092669859 114 -10.3813620194592 115 -4.13802098946603 116 0.0 117 0.0 118 -1.56933659355739 119 0.0 120 0.0 121 3.93167061781776 122 0.0 123 0.0 124 5.78853506984808 125 0.0 126 0.0 127 0.46755938901018 128 -0.37982080437723 129 -0.37982080437723 130 0.75964160875446 131 0.0 132 0.0 133 0.0 134 1.19260549460213 135 1.19260549460213 136 -2.38521098920426 137 0.0 138 0.0 139 0.0 140 0.38797175849957 141 0.38797175849957 142 -0.77594351699914 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.32472061629401 149 0.0 150 0.0 151 -0.21782921151870 152 0.0 153 0.0 154 -0.21782921151872 155 0.0 156 0.0 157 0.0 158 0.30583060236887 159 0.0 160 0.0 161 -0.20515740494895 162 0.0 163 0.0 164 -0.20515740494894 165 0.0 Sym= 15.4 Ene= 7.2313 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.0 8 0.0 9 0.0 10 0.0 11 0.0 12 0.0 13 0.0 14 0.0 15 0.0 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 -0.15544942052419 22 0.0 23 0.0 24 0.0 25 0.0 26 0.0 27 0.53056701964499 28 0.0 29 0.0 30 0.0 31 0.0 32 0.0 33 0.23310567503234 34 0.0 35 0.0 36 0.0 37 0.0 38 0.0 39 0.0 40 0.0 41 0.0 42 0.0 43 0.0 44 0.0 45 -0.027088243887775 46 0.0 47 0.0 48 0.0 49 0.0 50 0.0 51 0.0 52 0.0 53 0.0 54 0.0 55 0.39059320042625 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.0 63 0.0 64 0.0 65 0.0 66 0.0 67 0.0 68 0.0 69 0.0 70 0.0 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.002213920164322 77 0.0 78 0.0 79 0.0 80 0.0 81 0.0 82 0.036601280826122 83 0.0 84 0.0 85 0.0 86 0.0 87 0.0 88 -0.24053914800316 89 0.0 90 0.0 91 0.0 92 0.0 93 0.0 94 0.0 95 0.0 96 0.0 97 0.0 98 0.0 99 0.0 100 -0.12110487585026 101 0.0 102 0.0 103 0.0 104 0.0 105 0.0 106 0.0 107 0.0 108 0.0 109 0.0 110 0.93536606960457 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 0.0 118 0.0 119 0.0 120 0.0 121 0.0 122 0.0 123 0.0 124 0.0 125 0.0 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 1.21177289044775 132 0.0 133 0.0 134 0.0 135 0.0 136 0.0 137 -1.10064442138186 138 0.0 139 0.0 140 0.0 141 0.0 142 0.0 143 0.091076789103724 144 0.0 145 0.0 146 0.0 147 0.0 148 0.0 149 0.0 150 0.0 151 0.0 152 0.0 153 0.0 154 0.0 155 -0.28280924729746 156 0.0 157 0.0 158 0.0 159 0.0 160 0.0 161 0.0 162 0.0 163 0.0 164 0.0 165 0.49706018867629 Sym= 52.1 Ene= 7.2313 Spin= Alpha Occup= 0.000000 1 0.000000000000001 2 0.000000000000002 3 -0.000000000000000 4 0.000000000000009 5 0.000000000000009 6 0.0 7 0.0 8 0.000000000000000 9 0.0 10 0.0 11 -0.000000000000002 12 0.0 13 0.0 14 0.000000000000002 15 0.0 16 0.0 17 0.000000000000002 18 -0.13462314717795 19 0.13462314717795 20 -0.000000000000001 21 0.0 22 0.0 23 0.0 24 0.45948451742351 25 -0.45948451742351 26 -0.000000000000002 27 0.0 28 0.0 29 0.0 30 0.20187543634257 31 -0.20187543634257 32 0.000000000000000 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.000000000000001 39 0.0 40 0.0 41 -0.023459107350088 42 0.0 43 0.0 44 0.023459107350090 45 0.0 46 0.0 47 0.0 48 -0.000000000000000 49 0.0 50 0.0 51 0.33826363411351 52 0.0 53 0.0 54 -0.33826363411351 55 0.0 56 0.000000000000001 57 0.000000000000003 58 0.000000000000000 59 -0.000000000000036 60 -0.000000000000017 61 0.0 62 0.0 63 0.000000000000001 64 0.0 65 0.0 66 -0.000000000000011 67 0.0 68 0.0 69 -0.000000000000006 70 0.0 71 0.0 72 -0.000000000000000 73 0.001917311104255 74 -0.001917311104256 75 0.000000000000001 76 0.0 77 0.0 78 0.0 79 0.031697639006462 80 -0.031697639006456 81 -0.000000000000006 82 0.0 83 0.0 84 0.0 85 -0.20831301277315 86 0.20831301277316 87 -0.000000000000006 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.000000000000002 94 0.0 95 0.0 96 -0.10487989900862 97 0.0 98 0.0 99 0.10487989900862 100 0.0 101 0.0 102 0.0 103 0.000000000000000 104 0.0 105 0.0 106 0.81005077811580 107 0.0 108 0.0 109 -0.81005077811580 110 0.0 111 0.000000000000000 112 0.000000000000001 113 -0.000000000000000 114 0.000000000000027 115 0.000000000000011 116 0.0 117 0.0 118 0.000000000000004 119 0.0 120 0.0 121 -0.000000000000009 122 0.0 123 0.0 124 -0.000000000000012 125 0.0 126 0.0 127 -0.000000000000001 128 1.04942610674513 129 -1.04942610674512 130 -0.000000000000002 131 0.0 132 0.0 133 0.0 134 -0.95318602944996 135 0.95318602944996 136 0.000000000000005 137 0.0 138 0.0 139 0.0 140 0.078874813057642 141 -0.078874813057643 142 0.000000000000001 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.000000000000001 149 0.0 150 0.0 151 -0.24491999258410 152 0.0 153 0.0 154 0.24491999258410 155 0.0 156 0.0 157 0.0 158 -0.000000000000000 159 0.0 160 0.0 161 0.43046675060360 162 0.0 163 0.0 164 -0.43046675060360 165 0.0 Sym= 32.2 Ene= 7.5947 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.28495086359885 7 0.0 8 0.0 9 -0.41737207976419 10 0.0 11 0.0 12 -1.42894725278305 13 0.0 14 0.0 15 -0.27861812729866 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.16972178408007 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 -0.77760534917580 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 -0.41346006969095 35 0.0 36 0.079244063014172 37 0.0 38 0.0 39 0.035439022342259 40 0.0 41 0.0 42 -0.14175608937004 43 0.0 44 0.0 45 0.0 46 0.19407407891412 47 0.0 48 0.0 49 0.086792566624952 50 0.0 51 0.0 52 -0.34717026649853 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.44111913036334 62 0.0 63 0.0 64 -0.87035279988941 65 0.0 66 0.0 67 -0.56546315301521 68 0.0 69 0.0 70 0.52024388829906 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.049064851071982 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 -2.05642046675224 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 -1.19971780052009 90 0.0 91 0.097835885655868 92 0.0 93 0.0 94 0.043753538193247 95 0.0 96 0.0 97 -0.17501415277250 98 0.0 99 0.0 100 0.0 101 0.37719949675985 102 0.0 103 0.0 104 0.16868874316632 105 0.0 106 0.0 107 -0.67475497266656 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.74993987483597 117 0.0 118 0.0 119 1.24149367145145 120 0.0 121 0.0 122 2.42767159469118 123 0.0 124 0.0 125 -0.23085477714780 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 1.25008503836462 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -1.96314433697924 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 -0.50495966893645 145 0.0 146 -0.19508517256984 147 0.0 148 0.0 149 -0.087244741456745 150 0.0 151 0.0 152 0.34897896581781 153 0.0 154 0.0 155 0.0 156 -0.32302910584111 157 0.0 158 0.0 159 -0.14446300787250 160 0.0 161 0.0 162 0.57785203149552 163 0.0 164 0.0 165 0.0 Sym= 32.3 Ene= 7.5947 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 0.28495086359885 8 0.0 9 0.0 10 -0.41737207976417 11 0.0 12 0.0 13 -1.42894725278259 14 0.0 15 0.0 16 -0.27861812729861 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.16972178408002 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 -0.77760534917578 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 -0.41346006969074 36 0.0 37 0.079244063014210 38 0.0 39 0.0 40 0.035439022342276 41 0.0 42 0.0 43 -0.14175608937011 44 0.0 45 0.0 46 0.0 47 0.19407407891411 48 0.0 49 0.0 50 0.086792566624946 51 0.0 52 0.0 53 -0.34717026649851 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 0.44111913036337 63 0.0 64 0.0 65 -0.87035279988949 66 0.0 67 0.0 68 -0.56546315301620 69 0.0 70 0.0 71 0.52024388829899 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.049064851071949 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 -2.05642046675241 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 -1.19971780052008 91 0.0 92 0.097835885655779 93 0.0 94 0.0 95 0.043753538193207 96 0.0 97 0.0 98 -0.17501415277234 99 0.0 100 0.0 101 0.0 102 0.37719949675999 103 0.0 104 0.0 105 0.16868874316639 106 0.0 107 0.0 108 -0.67475497266682 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.74993987483606 118 0.0 119 0.0 120 1.24149367145156 121 0.0 122 0.0 123 2.42767159469173 124 0.0 125 0.0 126 -0.23085477714773 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 1.25008503836465 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -1.96314433697932 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 -0.50495966893674 146 0.0 147 -0.19508517256974 148 0.0 149 0.0 150 -0.087244741456699 151 0.0 152 0.0 153 0.34897896581762 154 0.0 155 0.0 156 0.0 157 -0.32302910584120 158 0.0 159 0.0 160 -0.14446300787254 161 0.0 162 0.0 163 0.57785203149568 164 0.0 165 0.0 Sym= 53.1 Ene= 7.7465 Spin= Alpha Occup= 0.000000 1 0.035340363835188 2 0.097212992164210 3 0.11186516130288 4 5.63615884338752 5 2.28762336243170 6 0.0 7 0.0 8 -0.11333557021942 9 0.0 10 0.0 11 0.52272699255237 12 0.0 13 0.0 14 3.01737033512465 15 0.0 16 0.0 17 0.40819620187607 18 0.18018830670455 19 0.18018830670455 20 -0.36037661340909 21 0.0 22 0.0 23 0.0 24 -0.16717100778150 25 -0.16717100778150 26 0.33434201556299 27 0.0 28 0.0 29 0.0 30 -0.28807117674526 31 -0.28807117674526 32 0.57614235349052 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.41108894357600 39 0.0 40 0.0 41 0.27576684679035 42 0.0 43 0.0 44 0.27576684679035 45 0.0 46 0.0 47 0.0 48 0.22603706435370 49 0.0 50 0.0 51 -0.15163027239881 52 0.0 53 0.0 54 -0.15163027239881 55 0.0 56 -0.45022045099677 57 -0.42999693313714 58 0.99005885398793 59 -4.78019923612783 60 -2.01732597223182 61 0.0 62 0.0 63 0.26077005124382 64 0.0 65 0.0 66 0.94106275988160 67 0.0 68 0.0 69 3.21576528805805 70 0.0 71 0.0 72 0.55169633977387 73 -0.51831271694143 74 -0.51831271694143 75 1.03662543388286 76 0.0 77 0.0 78 0.0 79 0.50455809296391 80 0.50455809296391 81 -1.00911618592781 82 0.0 83 0.0 84 0.0 85 0.023305311286094 86 0.023305311286096 87 -0.046610622572190 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.10291760381385 94 0.0 95 0.0 96 0.069039227462748 97 0.0 98 0.0 99 0.069039227462749 100 0.0 101 0.0 102 0.0 103 -0.063460572373887 104 0.0 105 0.0 106 0.042570646115718 107 0.0 108 0.0 109 0.042570646115716 110 0.0 111 0.20071742891666 112 0.77485763287593 113 0.15292440742889 114 -2.23991397973557 115 -0.066329039955248 116 0.0 117 0.0 118 -1.10484843057800 119 0.0 120 0.0 121 1.20463950737236 122 0.0 123 0.0 124 0.99840266561347 125 0.0 126 0.0 127 -0.22652792168689 128 -0.20863735015509 129 -0.20863735015509 130 0.41727470031017 131 0.0 132 0.0 133 0.0 134 0.50577615952476 135 0.50577615952476 136 -1.01155231904952 137 0.0 138 0.0 139 0.0 140 -0.14221629735089 141 -0.14221629735089 142 0.28443259470179 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 1.02208412808537 149 0.0 150 0.0 151 -0.68563487673674 152 0.0 153 0.0 154 -0.68563487673674 155 0.0 156 0.0 157 0.0 158 -0.26647055510285 159 0.0 160 0.0 161 0.17875388256363 162 0.0 163 0.0 164 0.17875388256362 165 0.0 Sym= 33.3 Ene= 8.1455 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 0.0 7 -0.65114308008621 8 0.0 9 0.0 10 2.02761037607024 11 0.0 12 0.0 13 1.07467252676730 14 0.0 15 0.0 16 -0.17801716004613 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.0 23 0.53421921987599 24 0.0 25 0.0 26 0.0 27 0.0 28 0.0 29 1.23749787838546 30 0.0 31 0.0 32 0.0 33 0.0 34 0.0 35 0.056058009848966 36 0.0 37 -0.50729600923387 38 0.0 39 0.0 40 -0.22686967227260 41 0.0 42 0.0 43 0.90747868908937 44 0.0 45 0.0 46 0.0 47 -0.039423196994399 48 0.0 49 0.0 50 -0.017630589673331 51 0.0 52 0.0 53 0.070522358695236 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 0.0 62 1.13782309750155 63 0.0 64 0.0 65 -2.22719499845668 66 0.0 67 0.0 68 -0.60552713972856 69 0.0 70 0.0 71 0.35528123335906 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 0.0 78 -0.043657441357958 79 0.0 80 0.0 81 0.0 82 0.0 83 0.0 84 1.02399801669103 85 0.0 86 0.0 87 0.0 88 0.0 89 0.0 90 0.73087164494056 91 0.0 92 0.91512862380903 93 0.0 94 0.0 95 0.40925796219924 96 0.0 97 0.0 98 -1.63703184879494 99 0.0 100 0.0 101 0.0 102 0.35597189217528 103 0.0 104 0.0 105 0.15919546979597 106 0.0 107 0.0 108 -0.63678187918586 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 0.0 117 -0.79145387009508 118 0.0 119 0.0 120 1.38492150803261 121 0.0 122 0.0 123 -0.50808283381839 124 0.0 125 0.0 126 -0.30383760961548 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 0.0 133 -0.24472442570211 134 0.0 135 0.0 136 0.0 137 0.0 138 0.0 139 -0.62284926564423 140 0.0 141 0.0 142 0.0 143 0.0 144 0.0 145 0.57880175929526 146 0.0 147 -0.67627373049158 148 0.0 149 0.0 150 -0.30243880655594 151 0.0 152 0.0 153 1.20975522622187 154 0.0 155 0.0 156 0.0 157 0.25299860636572 158 0.0 159 0.0 160 0.11314441640965 161 0.0 162 0.0 163 -0.45257766563752 164 0.0 165 0.0 Sym= 33.2 Ene= 8.1455 Spin= Alpha Occup= 0.000000 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 6 -0.65114308008641 7 0.0 8 0.0 9 2.02761037607058 10 0.0 11 0.0 12 1.07467252676767 13 0.0 14 0.0 15 -0.17801716004609 16 0.0 17 0.0 18 0.0 19 0.0 20 0.0 21 0.0 22 0.53421921987595 23 0.0 24 0.0 25 0.0 26 0.0 27 0.0 28 1.23749787838576 29 0.0 30 0.0 31 0.0 32 0.0 33 0.0 34 0.056058009849062 35 0.0 36 -0.50729600923390 37 0.0 38 0.0 39 -0.22686967227261 40 0.0 41 0.0 42 0.90747868908942 43 0.0 44 0.0 45 0.0 46 -0.039423196994467 47 0.0 48 0.0 49 -0.017630589673361 50 0.0 51 0.0 52 0.070522358695357 53 0.0 54 0.0 55 0.0 56 0.0 57 0.0 58 0.0 59 0.0 60 0.0 61 1.13782309750164 62 0.0 63 0.0 64 -2.22719499845684 65 0.0 66 0.0 67 -0.60552713972866 68 0.0 69 0.0 70 0.35528123335900 71 0.0 72 0.0 73 0.0 74 0.0 75 0.0 76 0.0 77 -0.043657441357977 78 0.0 79 0.0 80 0.0 81 0.0 82 0.0 83 1.02399801669151 84 0.0 85 0.0 86 0.0 87 0.0 88 0.0 89 0.73087164494075 90 0.0 91 0.91512862380903 92 0.0 93 0.0 94 0.40925796219924 95 0.0 96 0.0 97 -1.63703184879494 98 0.0 99 0.0 100 0.0 101 0.35597189217527 102 0.0 103 0.0 104 0.15919546979597 105 0.0 106 0.0 107 -0.63678187918584 108 0.0 109 0.0 110 0.0 111 0.0 112 0.0 113 0.0 114 0.0 115 0.0 116 -0.79145387009493 117 0.0 118 0.0 119 1.38492150803240 120 0.0 121 0.0 122 -0.50808283381874 123 0.0 124 0.0 125 -0.30383760961546 126 0.0 127 0.0 128 0.0 129 0.0 130 0.0 131 0.0 132 -0.24472442570224 133 0.0 134 0.0 135 0.0 136 0.0 137 0.0 138 -0.62284926564399 139 0.0 140 0.0 141 0.0 142 0.0 143 0.0 144 0.57880175929535 145 0.0 146 -0.67627373049155 147 0.0 148 0.0 149 -0.30243880655593 150 0.0 151 0.0 152 1.20975522622182 153 0.0 154 0.0 155 0.0 156 0.25299860636576 157 0.0 158 0.0 159 0.11314441640967 160 0.0 161 0.0 162 -0.45257766563760 163 0.0 164 0.0 165 0.0 Sym= 54.1 Ene= 8.6689 Spin= Alpha Occup= 0.000000 1 0.67273796504133 2 1.32257394998025 3 -0.65666815491960 4 -9.73013259755101 5 -2.00960471366440 6 0.0 7 0.0 8 -0.52618797441283 9 0.0 10 0.0 11 -2.31596091666311 12 0.0 13 0.0 14 -5.59673235659702 15 0.0 16 0.0 17 -0.51762319043183 18 0.33063584969154 19 0.33063584969154 20 -0.66127169938309 21 0.0 22 0.0 23 0.0 24 0.72350205568739 25 0.72350205568739 26 -1.44700411137478 27 0.0 28 0.0 29 0.0 30 0.65097457273135 31 0.65097457273135 32 -1.30194914546271 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 -0.26975347723176 39 0.0 40 0.0 41 0.18095613367714 42 0.0 43 0.0 44 0.18095613367714 45 0.0 46 0.0 47 0.0 48 -0.13195333111292 49 0.0 50 0.0 51 0.088516985467806 52 0.0 53 0.0 54 0.088516985467805 55 0.0 56 0.44473411416620 57 1.28264540182700 58 -0.024162735347645 59 0.98436272640203 60 -0.13325592217547 61 0.0 62 0.0 63 2.28315470666881 64 0.0 65 0.0 66 -8.15434070247677 67 0.0 68 0.0 69 -6.23360537866850 70 0.0 71 0.0 72 -0.42901915423059 73 0.076496519164123 74 0.076496519164123 75 -0.15299303832825 76 0.0 77 0.0 78 0.0 79 0.30366749311299 80 0.30366749311299 81 -0.60733498622597 82 0.0 83 0.0 84 0.0 85 0.59542589732885 86 0.59542589732885 87 -1.19085179465769 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -1.80524138436123 94 0.0 95 0.0 96 1.21099273536826 97 0.0 98 0.0 99 1.21099273536826 100 0.0 101 0.0 102 0.0 103 1.26253017698127 104 0.0 105 0.0 106 -0.84693098981249 107 0.0 108 0.0 109 -0.84693098981249 110 0.0 111 -0.68718323653782 112 -1.48525568471928 113 0.46811679297597 114 9.62110242893320 115 2.53736696181738 116 0.0 117 0.0 118 0.96782866617875 119 0.0 120 0.0 121 -3.35193327720169 122 0.0 123 0.0 124 -4.39703155230418 125 0.0 126 0.0 127 -0.35420125786101 128 -0.43309239113577 129 -0.43309239113577 130 0.86618478227154 131 0.0 132 0.0 133 0.0 134 -0.59336267642535 135 -0.59336267642535 136 1.18672535285070 137 0.0 138 0.0 139 0.0 140 -0.36934838033369 141 -0.36934838033369 142 0.73869676066737 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.73465355936431 149 0.0 150 0.0 151 0.49282058959523 152 0.0 153 0.0 154 0.49282058959523 155 0.0 156 0.0 157 0.0 158 0.19248111977652 159 0.0 160 0.0 161 -0.12912026046167 162 0.0 163 0.0 164 -0.12912026046167 165 0.0 Sym= 55.1 Ene= 13.1510 Spin= Alpha Occup= 0.000000 1 3.84275030919563 2 11.1997454085119 3 -2.92680987922726 4 2.92930395801639 5 2.31925171086439 6 0.0 7 0.0 8 0.27095117401844 9 0.0 10 0.0 11 3.11338093723977 12 0.0 13 0.0 14 -0.35956296864106 15 0.0 16 0.0 17 -0.23603793885087 18 -0.30603248397826 19 -0.30603248397826 20 0.61206496795652 21 0.0 22 0.0 23 0.0 24 0.071318349998157 25 0.071318349998157 26 -0.14263669999631 27 0.0 28 0.0 29 0.0 30 0.60833067649739 31 0.60833067649739 32 -1.21666135299479 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.10958042604954 39 0.0 40 0.0 41 -0.073508784495045 42 0.0 43 0.0 44 -0.073508784495045 45 0.0 46 0.0 47 0.0 48 -0.63167838935873 49 0.0 50 0.0 51 0.42374274555711 52 0.0 53 0.0 54 0.42374274555711 55 0.0 56 3.89550383745052 57 11.4953966983189 58 -2.35196163712665 59 -5.42288870775702 60 -0.78714560398524 61 0.0 62 0.0 63 -1.39013207801163 64 0.0 65 0.0 66 6.40815034577295 67 0.0 68 0.0 69 9.34928183061304 70 0.0 71 0.0 72 2.04078418099009 73 -0.29220390543170 74 -0.29220390543170 75 0.58440781086341 76 0.0 77 0.0 78 0.0 79 1.20209562430744 80 1.20209562430744 81 -2.40419124861487 82 0.0 83 0.0 84 0.0 85 1.50410622541168 86 1.50410622541168 87 -3.00821245082335 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 0.66916160092701 94 0.0 95 0.0 96 -0.44888724828161 97 0.0 98 0.0 99 -0.44888724828161 100 0.0 101 0.0 102 0.0 103 0.31979989862913 104 0.0 105 0.0 106 -0.21452829375969 107 0.0 108 0.0 109 -0.21452829375968 110 0.0 111 1.59356864706251 112 4.31777077774776 113 -1.16265098794468 114 -9.38447647747686 115 -5.25394115599541 116 0.0 117 0.0 118 -0.81611635098188 119 0.0 120 0.0 121 1.42816636027441 122 0.0 123 0.0 124 7.48920065134049 125 0.0 126 0.0 127 0.87948457337705 128 -0.11039754727172 129 -0.11039754727172 130 0.22079509454345 131 0.0 132 0.0 133 0.0 134 0.99838628216505 135 0.99838628216505 136 -1.99677256433010 137 0.0 138 0.0 139 0.0 140 1.11287727364263 141 1.11287727364263 142 -2.22575454728525 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.26501493076080 149 0.0 150 0.0 151 -0.17777742007007 152 0.0 153 0.0 154 -0.17777742007007 155 0.0 156 0.0 157 0.0 158 1.07621616329103 159 0.0 160 0.0 161 -0.72194774988083 162 0.0 163 0.0 164 -0.72194774988083 165 0.0 Sym= 56.1 Ene= 15.9932 Spin= Alpha Occup= 0.000000 1 0.56541541924042 2 1.45450527374528 3 -0.96565551998003 4 8.47118567632247 5 3.59011817184494 6 0.0 7 0.0 8 -1.18483299506218 9 0.0 10 0.0 11 2.98949553388942 12 0.0 13 0.0 14 5.82434680037441 15 0.0 16 0.0 17 0.82430378548236 18 -0.009085240072182 19 -0.009085240072182 20 0.018170480144364 21 0.0 22 0.0 23 0.0 24 -0.66078415357421 25 -0.66078415357421 26 1.32156830714842 27 0.0 28 0.0 29 0.0 30 -0.54108399227875 31 -0.54108399227875 32 1.08216798455751 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.14772587165192 39 0.0 40 0.0 41 -0.099097527314731 42 0.0 43 0.0 44 -0.099097527314731 45 0.0 46 0.0 47 0.0 48 0.12112485451617 49 0.0 50 0.0 51 -0.081253022538881 52 0.0 53 0.0 54 -0.081253022538881 55 0.0 56 -2.90883539774745 57 -8.28640910084316 58 3.23116564678644 59 -6.86908197135777 60 -3.41299551181707 61 0.0 62 0.0 63 0.99046575317083 64 0.0 65 0.0 66 -1.18673689991343 67 0.0 68 0.0 69 1.68571165268198 70 0.0 71 0.0 72 0.31555138418361 73 0.22514303544036 74 0.22514303544036 75 -0.45028607088072 76 0.0 77 0.0 78 0.0 79 1.65351852369659 80 1.65351852369659 81 -3.30703704739318 82 0.0 83 0.0 84 0.0 85 0.087296569960451 86 0.087296569960451 87 -0.17459313992090 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 -0.49554894724157 94 0.0 95 0.0 96 0.33242433966318 97 0.0 98 0.0 99 0.33242433966318 100 0.0 101 0.0 102 0.0 103 -1.31462140975957 104 0.0 105 0.0 106 0.88187485106970 107 0.0 108 0.0 109 0.88187485106970 110 0.0 111 4.17869869168783 112 11.1784275983262 113 -4.29152336853028 114 -4.45017354530210 115 0.20820361250318 116 0.0 117 0.0 118 1.28048379443225 119 0.0 120 0.0 121 -4.10671812208918 122 0.0 123 0.0 124 0.42830001427318 125 0.0 126 0.0 127 0.024886363078872 128 -0.10994339548954 129 -0.10994339548954 130 0.21988679097908 131 0.0 132 0.0 133 0.0 134 -0.54200816811767 135 -0.54200816811767 136 1.08401633623534 137 0.0 138 0.0 139 0.0 140 0.35962148219821 141 0.35962148219821 142 -0.71924296439642 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 -0.35677364242080 149 0.0 150 0.0 151 0.23933103510994 152 0.0 153 0.0 154 0.23933103510994 155 0.0 156 0.0 157 0.0 158 0.049182534968972 159 0.0 160 0.0 161 -0.032992647448914 162 0.0 163 0.0 164 -0.032992647448914 165 0.0 Sym= 57.1 Ene= 19.7782 Spin= Alpha Occup= 0.000000 1 5.28926169652124 2 15.8036223717176 3 -4.15659441919529 4 8.51887020954922 5 6.27626621187718 6 0.0 7 0.0 8 -1.05818169275761 9 0.0 10 0.0 11 8.27708208243990 12 0.0 13 0.0 14 7.03949535026392 15 0.0 16 0.0 17 1.08426942105300 18 -0.39969130605212 19 -0.39969130605212 20 0.79938261210423 21 0.0 22 0.0 23 0.0 24 -1.73955326174357 25 -1.73955326174357 26 3.47910652348713 27 0.0 28 0.0 29 0.0 30 -0.40350967611308 31 -0.40350967611308 32 0.80701935222616 33 0.0 34 0.0 35 0.0 36 0.0 37 0.0 38 0.74225893692983 39 0.0 40 0.0 41 -0.49792243196455 42 0.0 43 0.0 44 -0.49792243196455 45 0.0 46 0.0 47 0.0 48 0.72155655656354 49 0.0 50 0.0 51 -0.48403485302602 52 0.0 53 0.0 54 -0.48403485302602 55 0.0 56 -4.22632366079753 57 -12.5151604140880 58 3.43068150002545 59 -13.6101523898121 60 -8.38075392296487 61 0.0 62 0.0 63 -2.30833553051589 64 0.0 65 0.0 66 10.1135678754928 67 0.0 68 0.0 69 7.46774666818254 70 0.0 71 0.0 72 0.92827688901692 73 0.22997033009722 74 0.22997033009722 75 -0.45994066019444 76 0.0 77 0.0 78 0.0 79 1.45581897978660 80 1.45581897978660 81 -2.91163795957320 82 0.0 83 0.0 84 0.0 85 0.62823403464141 86 0.62823403464141 87 -1.25646806928281 88 0.0 89 0.0 90 0.0 91 0.0 92 0.0 93 1.17629885075209 94 0.0 95 0.0 96 -0.78908525764096 97 0.0 98 0.0 99 -0.78908525764096 100 0.0 101 0.0 102 0.0 103 1.71510546351131 104 0.0 105 0.0 106 -1.15052772149777 107 0.0 108 0.0 109 -1.15052772149777 110 0.0 111 -2.41758771976091 112 -6.70602439428452 113 2.31130655614833 114 5.56027787565325 115 3.36459939683319 116 0.0 117 0.0 118 -0.28106440000428 119 0.0 120 0.0 121 1.84157618659093 122 0.0 123 0.0 124 -2.81121984539251 125 0.0 126 0.0 127 -0.83856073656943 128 0.13564823141171 129 0.13564823141171 130 -0.27129646282341 131 0.0 132 0.0 133 0.0 134 0.25532573012106 135 0.25532573012106 136 -0.51065146024212 137 0.0 138 0.0 139 0.0 140 -0.52399705327784 141 -0.52399705327784 142 1.04799410655569 143 0.0 144 0.0 145 0.0 146 0.0 147 0.0 148 0.22679396898102 149 0.0 150 0.0 151 -0.15213801945856 152 0.0 153 0.0 154 -0.15213801945856 155 0.0 156 0.0 157 0.0 158 0.006777367928530 159 0.0 160 0.0 161 -0.004546396619016 162 0.0 163 0.0 164 -0.004546396619016 165 0.0