File: Ca5.mop

package info (click to toggle)
mopac 22.0.6%2Bdfsg-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 102,028 kB
  • sloc: f90: 161,334; python: 192; sh: 173; makefile: 5
file content (9 lines) | stat: -rw-r--r-- 538 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
 
      
      Ca5
      H=5 hr=guess hwt=1 noscale
Ca        0.000000  0        0.000000  0        0.000000  0      0     0     0      -4.481200
Ca        2.497011  0        0.000000  0        0.000000  0      1     0     0       1.120300
Ca        2.497082  0      135.592864  0        0.000000  0      1     2     0       1.120300
Ca        2.497219  0       64.616522  0     -130.203330  0      1     2     3       1.120200
Ca        2.497146  0      135.582960  0     -130.205855  0      1     2     4       1.120300