7.8.1 RCCSD(T) for different states

The following calculation performs RCCSD(T) calculations for the ground and first excited state of the OH radical.

Input: oh_runccsdt.com

Output: oh_runccsdt.out

This produces the following results:

 RESULTS

 METHOD    STATE     S       ENERGY
 HF-SCF      1.2   0.5   -75.39004124
 RCCSD       1.2   0.5   -75.55736436
 RCCSD(T)    1.2   0.5   -75.55912676
 RCCSD[T]    1.2   0.5   -75.55916157
 HF-SCF      1.1   0.5   -75.22787407
 RCCSD       1.1   0.5   -75.39738157
 RCCSD(T)    1.1   0.5   -75.39914839
 RCCSD[T]    1.1   0.5   -75.39915981

 SETTING DE             =         4.35323484  EV