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quack/mol/furan.xyz

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xyz files
2020-10-12 14:30:00 +02:00
9
bug fix in qsUGW
2020-11-03 21:47:57 +01:00
xyz files
2020-10-12 14:30:00 +02:00
C 0.00000000 1.09204092 -0.31777753
C 0.00000000 -1.09204092 -0.31777753
C 0.00000000 0.71623383 0.98604985
C 0.00000000 -0.71623383 0.98604985
O 0.00000000 0.00000000 -1.13214994
H 0.00000000 2.04440888 -0.81369302
H 0.00000000 -2.04440888 -0.81369302
H 0.00000000 1.37146217 1.83713421
bug fix in qsUGW
2020-11-03 21:47:57 +01:00
H 0.00000000 -1.37146217 1.83713421
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