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B.4 Geometry Optimizations

B.4.2 Vibrational Analysis

(July 14, 2022)
DORAMAN CPSCF_NSEG
FDIFF_STEPSIZE IDERIV
ISOTOPES JOBTYPE
VIBMAN_PRINT ANHAR
VCI FDIFF_DER
MODE_COUPLING IGNORE_LOW_FREQ
FDIFF_STEPSIZE_QFF