File: formamide.mop

package info (click to toggle)
mopac 22.0.6%2Bdfsg-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 102,028 kB
  • sloc: f90: 161,334; python: 192; sh: 173; makefile: 5
file content (10 lines) | stat: -rw-r--r-- 563 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
 
  NOLOG
Formamide
 HR=NIST H=-44.5
  C         0.00000000  0    0.0000000  0    0.0000000  0                      0.3849
  N         1.39179654  1    0.0000000  0    0.0000000  0    1    0    0      -0.6038
  H         1.00773377  1  122.9991077  1    0.0000000  0    2    1    0       0.2717
  H         1.09157136  1  115.6525340  1   -0.0081256  1    1    2    3       0.1371
  O         1.21856658  1  120.4170315  1  179.9929301  1    1    2    3      -0.4705
  H         1.01307354  1  121.3350393  1    0.0009239  1    2    1    5       0.2806