single_line h2o+.out_scf guess-h2o+.out_scf SO.out_scf guess-SO.out_scf
Total energy
5
1.0e-6

single_line h2o+-boys-z.out_lmo
Boys functional
3
1.0e-4

single_line h2o+-boys-z.out_lmo
Total spread
3
1.0e-4

single_line h2o+-boys-z.out_lmo
sum_i{<i|s|i>^2}
3
1.0e-4

single_line h2o+-PM.out_lmo SO-select1.out_lmo SO-select2.out_lmo
Inverse mean delocalization:
3
1.0e-5

single_line h2o+-boys-z-VIS-D0-a.out_visual
DENSITY TEST SUM
6
1.0e-2

single_line h2o+-PM-VIS-D0-a.out_visual
DENSITY TEST SUM (  1)
6
1.0e-2

single_line h2o+-PM-VIS-D0-a.out_visual
DENSITY TEST SUM (  2)
6
1.0e-2

single_line h2o+-PM-VIS-D0-a.out_visual
DENSITY TEST SUM (  3)
6
1.0e-2

single_line h2o+-PM-VIS-D0-a.out_visual
DENSITY TEST SUM (  4)
6
1.0e-2

single_line
termination of ReSpect
0
0.0e-00
