Ec/mos/thiophene_opt.mol

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2021-06-21 14:43:56 +02:00
[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 1.2347956494 -0.0521685238
C 2 6 0.0000000000 -1.2347956494 -0.0521685238
C 3 6 0.0000000000 0.7110645615 -1.3139350752
C 4 6 0.0000000000 -0.7110645615 -1.3139350752
S 5 16 0.0000000000 0.0000000000 1.1496412333
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H 7 1 0.0000000000 -2.2703186544 0.2358929071
H 8 1 0.0000000000 1.3163815953 -2.2054435097
H 9 1 0.0000000000 -1.3163815953 -2.2054435097
[GTO]
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[MO]
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