srDFT_G2/Ref/Inputs_G1/H2S.g09_zmat

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2019-03-26 15:02:24 +01:00
0,1
S
X,1,1.
H,1,R,2,A
H,1,R,2,A,3,180.,0
R=1.34531822
A=46.20925632