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

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Add geometries for QUEST#3
2020-08-30 17:36:26 +02:00
8
Add molecule parameter to each XYZ
2020-09-27 16:41:49 +02:00
Methylenecyclopropene,^1A_1,CC3,aug-cc-pVTZ
Add geometries for QUEST#3
2020-08-30 17:36:26 +02:00
C 0.00000000 0.00000000 0.28317798
C 0.00000000 0.00000000 1.61261370
C 0.00000000 0.66169883 -0.99787773
C 0.00000000 -0.66169883 -0.99787773
H 0.00000000 1.57106116 -1.56779476
H 0.00000000 -1.57106116 -1.56779476
H 0.00000000 0.92783298 2.16226244
H 0.00000000 -0.92783298 2.16226244
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