srDFT_G2/G09/Mixed_core/Molecules/vqz/C2H6.xyz
2019-04-01 12:09:35 +02:00

14 lines
183 B
Plaintext

0,1
C
C,1,AA
H,1,AH,2,HAA
H,1,AH,2,HAA,3,120.,0
H,1,AH,2,HAA,3,-120.,0
H,2,AH,1,HAA,3,180.,0
H,2,AH,1,HAA,6,120.,0
H,2,AH,1,HAA,6,-120.,0
AA=1.53003633
AH=1.09484731
HAA=111.3741399