SOCCAS-SCF
Here is an example using SOCAS-SCF to calculate the I atom.
$COMPASS Title I 2P Basis ANO-RCC-VQZP Geometry I 0.0 0.0 0.0 End geometry Group C(i) saorb $END $XUANYUAN scalar heff 3 soint hsoc 2 # 2 1e+MF2e, 0 1e. $END # 1s^22s^22p^63s^23p^63d^104s^24p^64d^105s^25p^7 $SCF RHF Occupied 15 12 Charge -1 iprtmo 2 $END $mcscf close 14 9 active 1 3 # 3s3p actel 7 Charge 0 Spin 2 symmetry 2 roots 3 3 1 2 3 1 1 1 soccas dumpsocint QUASI MACIT 10 $end