File: cuobrr.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 (10 lines) | stat: -rw-r--r-- 300 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
 
*
*    39.580
*
 PM7
Copper(III) oxide bromide
 <Cu=O> <Cu-Br> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.69834000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.20759700 +1   55.9218620 +1    0.0000000 +0     1     2     0