srDFT_G2/Ref/Inputs_G1/C2H4.g09_zmat
2019-03-26 15:58:26 +01:00

12 lines
143 B
Plaintext

0,1
C
C,1,RCC
H,1,RCH,2,HCC
H,1,RCH,2,HCC,3,180.,0
H,2,RCH,1,HCC,3,0.,0
H,2,RCH,1,HCC,3,180.,0
RCC=1.32718886
RCH=1.08577456
HCC=121.95017938