single_line H2O2.out_nsr
M_11 =
2
1.0e-3

single_line H2O2.out_nsr
M_22 =
2
1.0e-3

single_line H2O2.out_nsr
M_33 =
2
1.0e-3

single_line H2O2.out_scf
Total energy
5
1.0e-6

single_line
termination of ReSpect
0
0.0e-00
