Ec/mos/cyclopentadiene.nofci.mol

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2021-06-21 14:08:00 +02:00
[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 0.0000000000 -1.2335812293
C 2 6 0.0000000000 1.1758799552 -0.3009493918
C 3 6 0.0000000000 -1.1758799552 -0.3009493918
C 4 6 0.0000000000 0.7329869631 0.9724844904
C 5 6 0.0000000000 -0.7329869631 0.9724844904
H 6 1 0.8791248337 0.0000000000 -1.8860633866
H 7 1 -0.8791248337 0.0000000000 -1.8860633866
H 8 1 0.0000000000 2.2042899697 -0.6250463053
H 9 1 0.0000000000 -2.2042899697 -0.6250463053
H 10 1 0.0000000000 1.3468332776 1.8592764547
H 11 1 0.0000000000 -1.3468332776 1.8592764547
[GTO]
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[MO]
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Spin= Alpha
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