
#  ----------------------  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

#  ----------------------  EPR  ----------------------
single_line h2o+-HFS.out_hfcc
a_iso
1
1.0e-3

#  ----------------------  pSSCC  ----------------------

single_line h2o+_X-JJ13_X.out_sscc h2o+_Y-JJ13_Y.out_sscc h2o+_Z-JJ13_Z.out_sscc
For testing purposes:
3
1.0e-3

single_line h2o+_X-JJ23_X.out_sscc h2o+_Y-JJ23_Y.out_sscc h2o+_Z-JJ23_Z.out_sscc
For testing purposes:
3
1.0e-3

single_line h2o+-HFS.out_pnmr-sscc_JJ_H-O
SUM
2
1.0e-3

single_line
termination of ReSpect
0
0.0e-00
