single_line    AlO-b3lyp.out_scf
Total energy
5
1.0e-06

single_line    AlO-b3lyp-HFS-FN.out_hfcc AlO-b3lyp-HFS-PN.out_hfcc
a_iso
1
1.0e-3

single_line    AlO-b3lyp-GT-CGO.out_gt AlO-b3lyp-GT-GIAO.out_gt
g_iso
1
1.0e-5

single_line
termination of ReSpect
0
0.0e-00
