# If the subkey CDSPECTRUM is included in the key EXCITATIONS, the rotatory
# strength is calculated for the calculated excitations, in order to calculate
# the CD (Circular Dichroism) spectrum. Only useful for chiral molecules. A
# hybrid functional is used in this case.
# With the VELOCITY keyword also the dipole-velocity representation of the
# rotatory strength is calculated.
# Note: results will be physically meaningless due to small basis set. purpose
# of this job is to provide a test case for the CD implementation
# Do not use less strict convergence criteria than default, better to use
# tighter criteria. The approximations in the evaluation of the integrals one
# makes with the linear scaling techniques are effectively switched off by
# setting LINEARSCALING 99 (recommended to use this).
TITLE twisted ethene
purpose of this job is to provide a test case for the CD implementation
with hybrid functionals, and to test the "velocity" keyword
C 0.000000 0.000000 0.000000
C -0.000000 -0.000000 1.350716
H 0.565703 -0.745428 -0.540179
H -0.565703 0.745428 -0.540179
H 0.035837 -0.935093 1.890895
H -0.035837 0.935093 1.890895