Transforming the Second Derivatives of the Energy into Cartesian and Calculation of the Frequencies and Intensities

Modify input.dat

intder: (
derlvl = 2
trans_1der = true
trans_type = i_to_c_r
freq_anal = both
irint_t = do
trans_dipder = false
multi = 1
)

Type intder to append frequency information to output.dat. It will do this in both Cartesian and internal coordinates. This can be useful for debugging since the frequencies and intensities should be nearly identical.