Example: GO and frequencies C60

Download GOFREQ_C60.run

#!/bin/sh

$AMSBIN/ams << EOF

Task GeometryOptimization

Properties
   NormalModes True
End

System
   Atoms
        C   2.30706389   1.98586694   1.83102349 
        C   2.30706389   0.74961050   2.59507199 
        C   1.17574975   2.80781478   1.83102349 
        C   1.17574975   0.38202425   3.33024448 
        C   0.72665331  -1.00015247   3.33024448 
        C   3.03371719  -0.25054198   1.83102349 
        C   2.60159365  -1.58048151   1.83102349 
        C   1.42584390  -1.96250576   2.59507199 
        C   1.42584390   3.19876221  -0.59476704 
        C   2.60159365   2.34453001  -0.59476704 
        C   0.72665331   3.42594300   0.59476704 
        C   3.03371719   1.74976297   0.59476704 
        C   3.48281364   0.36758625   0.59476704 
        C   2.60159365   1.58048151  -1.83102349 
        C   3.03371719   0.25054198  -1.83102349 
        C   3.48281364  -0.36758625  -0.59476704 
        C  -1.42584390   3.19876221  -0.59476704 
        C  -0.69919059   2.96265823  -1.83102349 
        C  -0.72665331   3.42594300   0.59476704 
        C   0.69919059   2.96265823  -1.83102349 
        C   1.42584390   1.96250576  -2.59507199 
        C  -1.42584390   1.96250576  -2.59507199 
        C  -0.72665331   1.00015247  -3.33024448 
        C   0.72665331   1.00015247  -3.33024448 
        C  -2.30706389   1.98586694   1.83102349 
        C  -3.03371719   1.74976297   0.59476704 
        C  -1.17574975   2.80781478   1.83102349 
        C  -2.60159365   2.34453001  -0.59476704 
        C  -2.60159365   1.58048151  -1.83102349 
        C  -3.48281364   0.36758625   0.59476704 
        C  -3.48281364  -0.36758625  -0.59476704 
        C  -3.03371719   0.25054198  -1.83102349 
        C  -0.00000000   1.23625645   3.33024448 
        C  -1.17574975   0.38202425   3.33024448 
        C  -0.00000000   2.42579053   2.59507199 
        C  -2.30706389   0.74961050   2.59507199 
        C  -3.03371719  -0.25054198   1.83102349 
        C  -0.72665331  -1.00015247   3.33024448 
        C  -1.42584390  -1.96250576   2.59507199 
        C  -2.60159365  -1.58048151   1.83102349 
        C  -2.30706389  -1.98586694  -1.83102349 
        C  -3.03371719  -1.74976297  -0.59476704 
        C  -2.60159365  -2.34453001   0.59476704 
        C  -1.17574975  -2.80781478  -1.83102349 
        C  -0.00000000  -1.23625645  -3.33024448 
        C  -1.17574975  -0.38202425  -3.33024448 
        C  -2.30706389  -0.74961050  -2.59507199 
        C  -0.00000000  -2.42579053  -2.59507199 
        C   2.30706389  -1.98586694  -1.83102349 
        C   2.30706389  -0.74961050  -2.59507199 
        C   1.17574975  -0.38202425  -3.33024448 
        C   1.17574975  -2.80781478  -1.83102349 
        C   1.42584390  -3.19876221   0.59476704 
        C   2.60159365  -2.34453001   0.59476704 
        C   3.03371719  -1.74976297  -0.59476704 
        C   0.72665331  -3.42594300  -0.59476704 
        C  -1.42584390  -3.19876221   0.59476704 
        C  -0.69919059  -2.96265823   1.83102349 
        C   0.69919059  -2.96265823   1.83102349 
        C  -0.72665331  -3.42594300  -0.59476704
   End
End

Engine DFTB
   Model DFTB3
   ResourcesDir DFTB.org/3ob-3-1
   DispersionCorrection D3-BJ
EndEngine
EOF