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#1 2024-11-22 11:36:52
- es64
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- Registered: 2024-11-22
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Molecular isotropic polarizability
Hi, I am interested in calculating the molecular polarizability of the first singlet excited state of my system at the CASPT2 level with XMS-CASPT2 following SA-5-CASSCF. I am using LOPROP but the polarizability tensor is only printed for Root1 and I cannot seem to find an appropriate keyword to get the same info for the following roots. If you guys have any idea how to do that it would be great!
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