[molpro-user] Reg: Print Dipolemoment

Ganga Periyasamy Ganga.Periyasamy at ulg.ac.be
Sat Aug 8 10:05:31 BST 2009

Dear Sir,

I tried to print the dipole moment in Multi calculations, where i got the
following warning.  I dont understand what it means. Could you please kindly
help me to understand this.

!MCSCF trans         <1.4|DMY|5.2>     0.178822774554 au =
0.454492387352 Debye
 !MCSCF trans         <1.4|DMY|6.2>     0.407231134992 au =
1.035010508072 Debye
 *  --><property name="DMY" method="MCSCF" principal="true"
*     braStateNumber="1" ketStateSymmetry="2" ketStateNumber="6"*
*     value="0.407231134991723" origin="0.0 0.0 0.0"/><!--*
 !MCSCF trans         <1.4|DMY|7.2>     0.467576206713 au =
1.188382335457 Debye
 !MCSCF trans         <1.4|DMY|8.2>    -0.133757839712 au =
 -0.339956250254 Debye

Thank you
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