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quack/mol/ammonia.xyz
2020-10-12 14:30:00 +02:00

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270 B
Plaintext

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Ammonia,^1A_1,CC3,aug-cc-pVTZ
N 0.06775910 0.00000000 0.00000000
H -0.31382291 0.46874559 -0.81189118
H -0.31382291 -0.93749118 0.00000000
H -0.31382291 0.46874559 0.81189118