File: f3no.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 (12 lines) | stat: -rw-r--r-- 418 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
12
 
*
*   -29.897
*
 PM7
F3NO
 H=-39 HR=JANAF86
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.39445717 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.39461918 +1  100.7150156 +1    0.0000000 +0     2     1     0
  F     1.39486235 +1  100.6716726 +1  103.2998533 +1     2     1     3
  O     1.20224138 +1  117.3594835 +1 -128.3972389 +1     2     1     3