srDFT_G2/Ref/Inputs_G1/PH3.g09_not_sure_zmat
2019-03-26 20:24:09 +01:00

10 lines
102 B
Plaintext

0,1
P
X,1,1.
H,1,R,2,BETA
H,1,R,2,BETA,3,120.,0
H,1,R,2,BETA,3,-120.,0
R=1.42205572
BETA=122.9486097