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

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525 B
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Methylenecyclopropene,^1A_1,CC3,aug-cc-pVTZ
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