Ec/mos/tetrazine_opt.mol

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2021-06-21 14:43:56 +02:00
[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 0.0000000000 1.2605434113
C 2 6 0.0000000000 0.0000000000 -1.2605434113
N 3 7 0.0000000000 1.1942114665 0.6613300679
N 4 7 0.0000000000 -1.1942114665 0.6613300679
N 5 7 0.0000000000 1.1942114665 -0.6613300679
N 6 7 0.0000000000 -1.1942114665 -0.6613300679
H 7 1 0.0000000000 0.0000000000 2.3381744394
H 8 1 0.0000000000 0.0000000000 -2.3381744394
[GTO]
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[MO]
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