srDFT_G2/Ref/Inputs_G1/C2H2.g09_not_sure_zmat
2019-03-26 20:24:09 +01:00

11 lines
120 B
Plaintext

0,1
C
C,1,CC
X,2,1.,1,90.
H,2,CH,3,90.,1,180.,0
X,1,1.,2,90.,3,180.,0
H,1,CH,5,90.,2,180.,0
CC=1.1989086
CH=1.06216907