Sorry for my late reply. Thanks for your comments, I was successful in the calculation of the polarizability of C6H6.
DFT Linear Response polarizability / au
Frequency = 0.0773150 / au
Wavelength = 589.3209985 / nm
X Y Z
-----------------------------------------------
X 64.1637914 -0.0002708 -0.0000000
Y -0.0002713 64.1628593 0.0000000
Z -0.0000001 0.0000001 22.9828814
-----------------------------------------------
Eigenvalues = 64.1638644 64.1627863 22.9828814
Isotropic = 50.4365107
Anisotropic = 41.1804440
-----------------------------------------------
The input file is as follow.
echo
start C6H6-POL
title "Polarizability of Benzene"
geometry units angstrom
symmetry C1
C -1.209387 -0.698222 0.000000
C -1.209427 0.698262 0.000000
H -2.150069 -1.241320 0.000000
C -0.000014 1.396475 0.000000
H -2.150108 1.241358 0.000000
H -0.000012 2.482676 0.000000
C 1.209387 0.698222 0.000000
H 2.150068 1.241320 0.000000
C 1.209426 -0.698262 0.000000
H 2.150107 -1.241358 0.000000
C 0.000013 -1.396474 0.000000
H 0.000011 -2.482675 0.000000
end
DFT
XC b3lyp
MULT 1
END
basis
C library TZ_(Dunning)
H library TZ_(Dunning)
end
PROPERTY
response 1 0.077315
velocity
dipole
end
task dft property
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