You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
8 lines
368 B
8 lines
368 B
2 years ago
|
5
|
||
|
|
Coordinates from ORCA-job cmmd
|
||
|
|
C 1.06814007280221 0.06987026850103 0.02179803932415
|
||
|
|
H 2.15030026068978 0.06987112958641 0.02179749602221
|
||
|
|
H 0.70742370687918 -0.64615150469397 0.74861807400167
|
||
|
|
H 0.70741898627439 -0.20156341603182 -0.96170330012855
|
||
|
|
H 0.70741697335444 1.05732352263836 0.27847969078052
|