TCE calculation with symmetry specified encountering sym center map inconsistent error message


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Forum Vet
comment out the "symmetry group c3v" line
Leo,
Please comment out the "symmetry group c3v" line as shown below.
The autosym module of NWChem will correctly detect the c3v symmetry.
geometry autosym units angstrom
#symmetry group c3v
N     -0.0110000     0.00000     0.201000
C      0.0160000     0.00000     1.37200
C      0.0520000     0.00000     2.85200
H     -0.975000      0.00000     3.24800
H      0.580000     -0.898000    3.20900
H      0.580000      0.898000    3.20900
end

PS The "symmetry group c3v" line causes the failure since your geometry is not aligned along the axes of the symmetry operations that NWChem uses for c3v