# Analytical frequencies with subsequent calculation of vibrational circular
# dichroism (VCD)
# The VCD keyword can be used to calculate VCD spectra. It is important to note
# that the VCD keyword only works in combination with the keys AnalyticalFreq
# and symmetry NOSYM.
# Recommended is use to use high accuracy for the geometry optimization which
# one needs to do before the frequency calculation. This simple example is an
# NHDT molecule, which is NH3 where one hydrogen atom is replaced with deuterium
# and another with tritium.
N 0.000000 0.000000 0.010272
H -0.471582 -0.816803 0.407861
H.D 0.943163 0.000000 0.407861
H.T -0.471582 0.816803 0.407861