[molpro-user] why can't visualize imaginary modes with molden

Liu X liuxj at iccas.ac.cn
Wed Dec 29 03:27:07 GMT 2004


Dear molpro users
I did some fre. cal. then put it to molden to visualize imaginary modes
In molpro output I get the  Imaginary Vibration, but I can not find the
Imaginary Vibration in molden 

part of my input and output are as follows:
 frequencies
 put,molden,test.molden 

molden output
 Imaginary Vibration  Wavenumber
       Nr             [1/cm]
       1             2554.95
       2                5.50
       3                3.49
       4                0.04

  Low Vibration      Wavenumber
       Nr             [1/cm]
       1                0.10
       2                0.16
       3                4.05
       4               57.76
       5              137.48

    Vibration        Wavenumber
       Nr             [1/cm]
       1              155.90
       2              328.15
       3              467.41
       4              614.21
       5              921.74
       6             1215.93
       7             1285.44
       8             1322.91
       9             1440.58
      10             1751.94
      11             1930.92 

thanks for your responding 

 ----------------------------------------------- 

Liu Xiaojun
Institute of Chemistry, the Chinese Academy of Sciences
Tel: 86-010-62564825
Address: No.2 Zhongguancun North First Street,
       Haidian District,
       Beijing, P. R. China, 100080 

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