single_line h2o_dkh2.out_scf 5cs.out_scf
Total energy
5
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
X component
3
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
Y component
3
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
Z component
3
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
0.0250
4
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
0.0250
5
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
0.0250
6
1.0e-08

single_line 5cs.out_tdscf 10cs.out_tdscf
0.0250
7
1.0e-08

single_line 10cs.out_tdscf
0.0500
4
1.0e-08

single_line 10cs.out_tdscf
0.0500
5
1.0e-08

single_line 10cs.out_tdscf
0.0500
6
1.0e-08

single_line 10cs.out_tdscf
0.0500
7
1.0e-08

single_line 15cs.out_tdscf
0.0750
4
1.0e-08

single_line 15cs.out_tdscf
0.0750
5
1.0e-08

single_line 15cs.out_tdscf
0.0750
6
1.0e-08

single_line 15cs.out_tdscf
0.0750
7
1.0e-08

single_line
termination of ReSpect
0
0.0e-00
