srDFT_G2/Ref/Inputs_G1/HOCl.g09_zmat

9 lines
76 B
Plaintext
Raw Normal View History

2019-03-26 15:02:24 +01:00
0,1
O
H,1,OH
Cl,1,OCl,2,HOCl
OH=0.96804646
OCl=1.7074574
HOCl=102.46612245