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# 10.2.4 Symmetry Decomposition

(December 20, 2021)

Q-Chem’s default is to write the SCF wave function molecular orbital symmetries and energies to the output file. If requested, a symmetry decomposition of the kinetic and nuclear attraction energies can also be calculated.

SYMMETRY_DECOMPOSITION

SYMMETRY_DECOMPOSITION
Determines symmetry decompositions to calculate.
TYPE:
INTEGER
DEFAULT:
1
OPTIONS:
0 No symmetry decomposition. 1 Calculate MO eigenvalues and symmetry (if available). 2 Perform symmetry decomposition of kinetic energy and nuclear attraction matrices.
RECOMMENDATION:
None