[MOLDEN FORMAT] [N_ATOMS] 2 [ATOMS] (AU) N 1 7 0.00000000 0.00000000 -1.03715729 N 2 7 0.00000000 0.00000000 1.03715729 [CHARGE] (MULLIKEN) -1.3322676295501878E-013 -1.3322676295501878E-013 [GTO] (AU) 1 s 10 0.114200000E+05 0.522999656E-03 0.171200000E+04 0.404499734E-02 0.389300000E+03 0.207749863E-01 0.110000000E+03 0.807269469E-01 0.355700000E+02 0.233073847E+00 0.125400000E+02 0.433500715E+00 0.464400000E+01 0.347471771E+00 0.129300000E+01 0.412619729E-01 0.511800000E+00 -0.850799440E-02 0.178700000E+00 0.238399843E-02 s 10 0.114200000E+05 -0.114999954E-03 0.171200000E+04 -0.894999645E-03 0.389300000E+03 -0.462399817E-02 0.110000000E+03 -0.185279927E-01 0.355700000E+02 -0.573389773E-01 0.125400000E+02 -0.132075948E+00 0.464400000E+01 -0.172509932E+00 0.129300000E+01 0.151813940E+00 0.511800000E+00 0.599943762E+00 0.178700000E+00 0.387461846E+00 s 1 0.129300000E+01 0.100000000E+01 s 1 0.178700000E+00 0.100000000E+01 s 1 0.576000000E-01 0.100000000E+01 p 5 0.266300000E+02 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0.129300000E+01 0.151813940E+00 0.511800000E+00 0.599943762E+00 0.178700000E+00 0.387461846E+00 s 1 0.129300000E+01 0.100000000E+01 s 1 0.178700000E+00 0.100000000E+01 s 1 0.576000000E-01 0.100000000E+01 p 5 0.266300000E+02 0.146700034E-01 0.594800000E+01 0.917640216E-01 0.174200000E+01 0.298683070E+00 0.555000000E+00 0.498487117E+00 0.172500000E+00 0.337023079E+00 p 1 0.555000000E+00 0.100000000E+01 p 1 0.172500000E+00 0.100000000E+01 p 1 0.491000000E-01 0.100000000E+01 d 1 0.165400000E+01 0.100000000E+01 d 1 0.469000000E+00 0.100000000E+01 d 1 0.151000000E+00 0.100000000E+01 f 1 0.109300000E+01 0.100000000E+01 f 1 0.364000000E+00 0.100000000E+01 [MO] Sym= 1ag Ene= -15.6840 Spin= Alpha Occup= 2.00000 1 0.70441565 2 -0.00818644 3 0.00605695 4 -0.00779506 5 -0.00124077 6 0.00000000 7 0.00000000 8 0.00694261 9 0.00000000 10 0.00000000 11 -0.00685845 12 0.00000000 13 0.00000000 14 -0.00501246 15 0.00000000 16 0.00000000 17 -0.00031064 18 0.00143628 19 0.00143628 20 0.00229883 21 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25 0.07146548 26 0.01592397 27 0.00000000 28 0.00000000 29 0.00000000 30 -0.67775857 31 -0.67775857 32 5.46141435 33 0.00000000 34 0.00000000 35 0.00000000 36 0.00000000 37 0.00000000 38 -0.14695839 39 0.00000000 40 0.00000000 41 -0.03464986 42 0.00000000 43 0.00000000 44 -0.03464986 45 0.00000000 46 0.00000000 47 0.00000000 48 -1.79308694 49 0.00000000 50 0.00000000 51 -0.98974688 52 0.00000000 53 0.00000000 54 -0.98974688 55 0.00000000 56 -0.00722747 57 -0.04529074 58 0.02273435 59 -6.02488555 60 0.21553575 61 0.00000000 62 0.00000000 63 0.33625452 64 0.00000000 65 0.00000000 66 1.04064236 67 0.00000000 68 0.00000000 69 -10.20062442 70 0.00000000 71 0.00000000 72 -0.88688608 73 0.01344188 74 0.01344188 75 -0.00424038 76 0.00000000 77 0.00000000 78 0.00000000 79 0.07146548 80 0.07146548 81 0.01592397 82 0.00000000 83 0.00000000 84 0.00000000 85 -0.67775857 86 -0.67775857 87 5.46141435 88 0.00000000 89 0.00000000 90 0.00000000 91 0.00000000 92 0.00000000 93 0.14695839 94 0.00000000 95 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