[molpro-user] NACME

[lijun830416]

Hi Molpro users,
         I read one paper, Forbidden transitions in benzene, Journal of molecular structure-Theochem, 2003,621,99,  wich gives  the first derivates of the transition dipole moments with respect to the normal coordinates. I want to know how to obtain the derivates using MOLPRO- the authors said that they did the calculations using MOLPRO. Anyone know the method? Any is of great help. Thank you very much.
 
best regards
Lijun
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100122/6a85a332/attachment.html>