[molpro-user] NACME; gradient method

[Yann Tambouret]

Dear Molpro User Group,

Does anyone have experience using the gradient method of calculation the 
non-adiabatic coupling constants between two states. That is as 
discribed in the Energy Gradients chapter of the molpro manual:

cpmcscf,nacm,state 1,state 2, record !following a multi call
 !then
force;samc,record;

I do this for the lowest two B2g states of O2, near their crossing at 
3.1 a.u.

I get the following error from the forces program:

cannot handle g,h,i orbitals

you can reply here, or email me at yannpaul at bu.edu

Thanks,

Yann Tambouret