
#  ----------------------  SCF  ----------------------

single_line    h2o+_dkh2.out_scf h2o+_X.out_scf h2o+_Y.out_scf h2o+_Z.out_scf
Total energy
5
1.0e-07

#  ----------------------  NMR  ----------------------

single_line h2o+_X-GIAO_X.out_cs h2o+_Y-GIAO_Y.out_cs h2o+_Z-GIAO_Z.out_cs
For testing purposes:
3
1.0e-3

single_line
termination of ReSpect
0
0.0e-00
