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

Jingyun Ye jingyu... at gmail.com
Tue Dec 2 19:06:14 UTC 2014


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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