File: alter.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 (9 lines) | stat: -rw-r--r-- 209 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
*
*  -297.694
*
 PM7
Al-Te, complex
 <Al-Te> GR=PW91D
 Al     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Te     2.41022000 +1    0.0000000 +0    0.0000000 +0     1     0     0