File: RuO4.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-- 556 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
 
      
      Ruthenium tetroxide
      H=-50 hr=guess hwt=5 noscale
Ru        0.000000  0        0.000000  0        0.000000  0      0     0     0       2.529300
O         1.698314  1        0.000000  0        0.000000  0      1     0     0      -0.632300
O         1.698302  1      109.472749  1        0.000000  0      1     2     0      -0.632300
O         1.698311  1      109.470325  1      120.001575  1      1     2     3      -0.632300
O         1.698312  1      109.470162  1      119.997039  1      1     2     4      -0.632300