Ec/mos/pyridazine_opt.mol

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2021-06-21 14:43:56 +02:00
[Molden Format]
[Atoms] Angs
C 1 6 0.0000000000 0.6887287099 -1.2253250788
C 2 6 0.0000000000 -0.6887287099 -1.2253250788
C 3 6 0.0000000000 1.3190902155 0.0185922013
C 4 6 0.0000000000 -1.3190902155 0.0185922013
N 5 7 0.0000000000 0.6679711884 1.1806192355
N 6 7 0.0000000000 -0.6679711884 1.1806192355
H 7 1 0.0000000000 2.3961366636 0.1021297874
H 8 1 0.0000000000 -2.3961366636 0.1021297874
H 9 1 0.0000000000 1.2647944616 -2.1377051748
H 10 1 0.0000000000 -1.2647944616 -2.1377051748
[GTO]
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[MO]
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