[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"
braStateSymmetry="4"*
* 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
Ganga
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