single_line    4c.out_scf
Total energy
5
1.0e-06

single_line    4c.out_hfcc
a_iso
1
1.0e-4

single_line    4c-sscc-34.out_sscc 4c-sscc-23-24.out_sscc
J_
1
1.0e-2

single_line    4c.out_pnmr-sscc_JJ_H-H
SUM
2
1.0e-3

single_line
termination of ReSpect
0
0.0e-00
