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

single_line    H2.out_scf
Total energy
5
1.0e-07

single_line H2O+_X.out_scf H2O+_Y.out_scf H2O+_Z.out_scf H2O.out_scf
Total energy
5
1.0e-5

#  -----------------  density on grid   --------------

single_line H2-R0-1D.out_visual H2O+_X-RS-2D.out_visual H2O+_Y-RS-2D.out_visual H2O+_Z-RS-2D.out_visual H2O+_Z-RS-2D-FR.out_visual
DENSITY TEST SUM
6
1.0e-5

single_line H2O+_X-RS-3D.out_visual H2O+_Y-RS-3D.out_visual H2O+_Z-RS-3D.out_visual 
DENSITY TEST SUM
6
1.0e-5

single_line H2O+_Z-RS-2D-5MO.out_visual
DENSITY TEST SUM
6
1.0e-5

single_line H2O+_X-R0-2D.out_visual H2O-R0-2D.out_visual
DENSITY TEST SUM
6
1.0e-5

single_line
termination of ReSpect
0
0.0e-00
