# Example: Analytic Frequencies: CH4¶

Download CH4_SecDeriv.run

#! /bin/sh

# In this example we perform a geometry optimization immediately followed by
# calculation of frequencies. This is done by specifying the Geometry and
# AnalyticalFreq input blocks in one file.

# Note: when using this feature, one might improve the precision if one uses
# NUMERICALQUALITY GOOD. In order to save time this is not done in this example.

title CH4 LDA potential
Atoms
C  0 0 0
H  0.6264250420707439  0.6264250420707439  0.6264250420707439
H  0.6264250420707439 -0.6264250420707439 -0.6264250420707439
H -0.6264250420707439  0.6264250420707439 -0.6264250420707439
H -0.6264250420707439 -0.6264250420707439  0.6264250420707439
End
Basis
Type TZP
Core None
End
Geometry