File: ch2tr.mop

package info (click to toggle)
mopac 23.1.2-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, trixie
  • size: 115,604 kB
  • sloc: f90: 165,274; python: 202; sh: 181; ansic: 85; makefile: 8
file content (12 lines) | stat: -rw-r--r-- 338 bytes parent folder | download | duplicates (3) 
1
2
3
4
5
6
7
8
9
10
11
12
 
*
*   -42.796
*
 OPEN(2,2) TRIPLET SYMMETRY PM7
Methylene, triplet
 GR=JANAF86 <C-H> <H-C-H>
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.02900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.02900000 +0  136.0000000 +1    0.0000000 +0     2     1     0
 
   2  1    3