Ec/mos/triazine.nofci.mol
2021-06-21 14:08:00 +02:00

11072 lines
311 KiB
Plaintext

[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 -1.1187586610 -0.6459156168
C 2 6 0.0000000000 0.0000000000 1.2918312336
C 3 6 0.0000000000 1.1187586610 -0.6459156168
N 4 7 0.0000000000 -1.1886629861 0.6862748897
N 5 7 0.0000000000 1.1886629861 0.6862748897
N 6 7 0.0000000000 0.0000000000 -1.3725497894
H 7 1 0.0000000000 2.0547778488 -1.1863265459
H 8 1 0.0000000000 -2.0547778488 -1.1863265459
H 9 1 0.0000000000 0.0000000000 2.3726530819
[GTO]
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[MO]
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