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QUESTDB_website/static/data/structures/QUEST3/pyridazine.xyz

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2020-08-30 17:36:26 +02:00
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2020-09-15 13:01:50 +02:00
^1A_1,CC3,aug-cc-pVTZ
2020-08-30 17:36:26 +02:00
C 0.00000000 0.68872866 -1.22532499
C 0.00000000 -0.68872866 -1.22532499
C 0.00000000 1.31909012 0.01859220
C 0.00000000 -1.31909012 0.01859220
N 0.00000000 0.66797114 1.18061915
N 0.00000000 -0.66797114 1.18061915
H 0.00000000 2.39613649 0.10212978
H 0.00000000 -2.39613649 0.10212978
H 0.00000000 1.26479437 -2.13770502
H 0.00000000 -1.26479437 -2.13770502