Has anybody used the MP2 method ( in MOlCAS ) for classical trajectories calculation?

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Rafik Karaman

HERE WE GO,

ATTACHED IS AN INPUT FILE FOR USING MP2 AT 6-31G (d,p) FOR RUNNING ON GAUSSIAN 09. PLEASE RUN THE ONE WITH ...... .GJF

GOOD LUCK

Evgeniia Butaeva

Rafik Karaman, thanks a lot. But I am working mostly with MOLCAS. I still can try in in gaussian though.

BTW. where in this input you specify the current state and step size of trajectory. Also, where are you referring to velocities?