Ec/thiophene/cc-pvdz/thiophene.xyz

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2020-11-12 16:05:56 +01:00
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C 0.00000000 2.33342542 -0.09858421
C 0.00000000 -2.33342542 -0.09858421
C 0.00000000 1.34371718 -2.48297725
C 0.00000000 -1.34371718 -2.48297725
S 0.00000000 0.00000000 2.17250692
H 0.00000000 4.29028016 0.44577296
H 0.00000000 -4.29028016 0.44577296
H 0.00000000 2.48760051 -4.16768392
H 0.00000000 -2.48760051 -4.16768392