File: EXTERNAL.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 (14 lines) | stat: -rw-r--r-- 295 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
 
scfcrt=1.D-21 aux(precision=14) PM6 charge=0 external=EXTERNAL.dat
Comment line 1
Comment line 2
C
C 1 CC
C 1 CC 2 CCC
H 2 CH 1 HCC 3 180.0
H 3 CH 1 HCC 2 180.0

CC =                  1.42101898
CCC =                55.60133141
CH =                  1.07692776
HCC =               147.81488230