Why I get a 5000 cm-1 vibration frequency for single H2 molecule?

[Jingyun Ye]

On Tuesday, December 2, 2014 2:06:14 PM UTC-5, Jingyun Ye wrote:
>
> INPUT
>
> &VIBRATIONAL_ANALYSIS
>     DX 1.0E-03
>     NPROC_REP  24
>   &PRINT
>       &PROGRAM_RUN_INFO ON
>       &END
>       &MOLDEN_VIB
>        FILENAME=frequencies.mol
>       &END
>   &END
>
> The H2 molecule is in a 20*20*20 box.
>
> Thanks very much! 
>
> And using the same input for CO2 molecule. I can only get 3 vibration 
> modes. 
>
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