single_line h2o2.out_scf h2o.out_scf h2s.out_scf
Total energy
5
1.0e-6

single_line h2o2-boys.out_lmo h2s-select1.out_lmo h2s-select2.out_lmo
Boys functional
3
1.0e-4

single_line h2o2-boys.out_lmo h2s-select1.out_lmo h2s-select2.out_lmo
Total spread
3
1.0e-4

single_line h2o-PM.out_lmo
Inverse mean delocalization:
3
1.0e-5

single_line h2o2-boys-VIS-D0-a.out_visual h2o-PM-VIS-D0-3.out_visual
DENSITY TEST SUM
6
1.0e-3

single_line h2o2-boys-R.out_el-dipole
Final values
3
1.0e-04

single_line
termination of ReSpect
0
0.0e-00
