Ec/mos/pyrimidine.fci.mol

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2021-06-21 14:08:00 +02:00
[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 0.0000000000 1.2780601626
C 2 6 0.0000000000 0.0000000000 -1.3780351598
C 3 6 0.0000000000 1.1815075956 -0.6501969171
C 4 6 0.0000000000 -1.1815075956 -0.6501969171
N 5 7 0.0000000000 1.1970740567 0.6859181897
N 6 7 0.0000000000 -1.1970740567 0.6859181897
H 7 1 0.0000000000 0.0000000000 2.3589676909
H 8 1 0.0000000000 0.0000000000 -2.4560224379
H 9 1 0.0000000000 2.1439581353 -1.1448842329
H 10 1 0.0000000000 -2.1439581353 -1.1448842329
[GTO]
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[MO]
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