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----------------------- !PROPERTIES! ------------------------

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# -----------------------------------------------------------
$ SCF_Energy
description: The SCF energy
geom. index: 1
prop. index: 1
SCF Energy: -65.8193708572
# -----------------------------------------------------------
$ Calculation_Info
description: Details of the calculation
geom. index: 1
prop. index: 1
Multiplicity: 5
Charge: 0
number of atoms: 1
number of electrons: 0
number of frozen core electrons: 1
number of correlated electrons: 0
number of basis functions: 32
number of aux C basis functions: 0
number of aux J basis functions: 18
number of aux JK basis functions: 0
number of aux CABS basis functions: 0
Total Energy -65.819371
# -----------------------------------------------------------
$ SCF_Electric_Properties
description: The SCF Calculated Electric Properties
geom. index: 1
prop. index: 1
Filename : WO_atom74.scfp
Do Dipole Moment Calculation : true
Do Quadrupole Moment Calculation : false
Do Polarizability Calculation : false
** Dipole moment part of electric properties **
Magnitude of dipole moment (Debye) : 0.0000000000
Electronic Contribution:
0
0 0.000000
1 -0.000000
2 -0.000000
Nuclear Contribution:
0
0 0.000000
1 0.000000
2 0.000000
Total Dipole moment:
0
0 0.000000
1 -0.000000
2 -0.000000
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
Number of atoms: 1
Geometry Index: 1
Coordinates:
0 W 0.000000000000 0.000000000000 0.000000000000