srDFT_G2/Ref/Molecules/g09/C2H6.xyz

14 lines
183 B
Plaintext
Raw Normal View History

2019-03-25 22:30:19 +01:00
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