memory 15GB
molecule {
0 1
C 3.16355 2.03206 0.88084
C 1.74959 2.03206 0.88084
N 3.90676 3.16884 0.88295
C 1.08891 3.25872 0.88459
C 3.23752 4.35067 0.88118
H 1.33907 5.41213 0.88030
N 4.02570 5.49517 0.84044
H 3.61557 6.36233 1.16290
H 3.41211 0.00000 1.16038
H 0.00000 3.29345 0.88936
H 4.99246 5.34542 1.09767
C 1.82644 4.44077 0.88084
H 4.85136 0.92662 1.09653
N 3.87697 0.83959 0.83929
H 1.20133 1.09372 0.88052
  --
C 9.11633 4.20372 0.88084
C 9.70325 2.97456 0.88045
N 8.95527 1.80837 0.88084
C 7.55201 1.80837 0.88084
N 6.94953 3.06381 0.88179
C 7.63635 4.29593 0.88201
O 6.90847 0.75623 0.88013
C 9.90800 5.48038 0.87910
O 6.99246 5.34542 0.88320
H 10.78290 2.83848 0.87982
H 9.41115 0.90162 0.88025
H 5.93302 3.09268 0.88227
H 10.97963 5.28713 0.88470
H 9.67137 6.08278 0.00000
H 9.66316 6.09035 1.75056
units angstrom
}
set {
    basis cc-pVDZ

    scf_type df 
    
    opt_type MIN
    geom_maxiter 1000
    g_convergence INTERFRAG_TIGHT
    print_trajectory_xyz_file true
    DYNAMIC_LEVEL 1
}
optimize( 'b3lyp-d3', bsse_type='cp')