srDFT_G2/Ref/Inputs_G1/PH2.g09_not_sure_zmat
2019-03-26 20:24:09 +01:00

9 lines
70 B
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0,2
P
X,1,1.
H,1,R,2,A
H,1,R,2,A,3,180.,0
R=1.42692167
A=45.79311753