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QuAcK/mol/allyl.xyz
2020-10-12 14:30:00 +02:00

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Allyl,^2A_2,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 0.43948555
C 0.00000000 1.22230000 -0.20491245
C 0.00000000 -1.22230000 -0.20491245
H 0.00000000 0.00000000 1.52163355
H 0.00000000 2.14865500 0.34693155
H 0.00000000 -2.14865500 0.34693155
H 0.00000000 1.27563400 -1.28433045
H 0.00000000 -1.27563400 -1.28433045