File: formaldehyde-sym.mop

package info (click to toggle)
cclib-data 1.6.2-2
  • links: PTS, VCS
  • area: non-free
  • in suites: bookworm, bullseye, sid
  • size: 87,912 kB
  • sloc: python: 16,440; sh: 131; makefile: 79; cpp: 31
file content (11 lines) | stat: -rw-r--r-- 409 bytes parent folder | download 
1
2
3
4
5
6
7
8
9
10
11
 
 SYMMETRY
Formaldehyde

  O         0.00000000 +0    0.0000000 +0    0.0000000 +0                     -0.4225
  C         1.21081526 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.2365
  H         1.09749962 +1  122.0235013 +1    0.0000000 +0    2    1    0       0.0930
  H         1.09749962 +0  122.0235013 +0  180.0000000 +0    2    1    3       0.0930
 
   3  1    4
   3  2    4