File: erratic3.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 (7 lines) | stat: -rw-r--r-- 266 bytes parent folder | download 
1
2
3
4
5
6
7
 
open(1,2) 1SCF   MNDO     GRADIENTS  PRECISE
             SIH  HEAT OF FORMATION (MNDO)= 90.215

 Si    0.00000000  0    0.0000000  0    0.0000000  0    0    0    0      0.4169
  H    1.37437054  1    0.0000000  0    0.0000000  0    1    0    0     -0.4169