File: so2f.mop

package info (click to toggle)
mopac 23.1.2-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 115,604 kB
  • sloc: f90: 165,274; python: 202; sh: 181; ansic: 85; makefile: 8
file content (11 lines) | stat: -rw-r--r-- 347 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
 
*
*  -107.354
*
 PM7
SO2F
 HR=WHSMC03 H=-87.2
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.41759539 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.41708140 +1  130.5223934 +1    0.0000000 +0     1     2     0
  F     1.55453080 +1  107.7379785 +1  134.6731674 +1     1     2     3