srDFT_G2/Ref/Inputs_G1/CH3SH.xyz

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2019-03-26 20:24:09 +01:00
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0,1
C 0.000000 0.000000 0.000000
S 0.000000 0.000000 1.829390
H 1.335512 0.000000 1.995822
H -1.048998 0.000000 -0.301256
H 0.480253 0.895780 -0.395674
H 0.480253 -0.895780 -0.395674