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

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456 B
Plaintext

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Cyclopropene,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -0.88277808
C 0.00000000 0.64836859 0.47986540
C 0.00000000 -0.64836859 0.47986540
H 0.91153656 0.00000000 -1.47048371
H -0.91153656 0.00000000 -1.47048371
H 0.00000000 1.57612532 1.01642650
H 0.00000000 -1.57612532 1.01642650