! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -4.8798864361  -1.8273909556  -0.9905845364
O    1.8324916682  -1.6735747105  -0.3692852920
N    1.9517506848  -0.2895829219  -0.6836852877
N    2.0800264067   4.1448370937   0.8866548513
C    2.1975131003   0.3601722255   0.6190764757
C    1.2562950019  -0.4609902374   1.5361325128
C    0.9077651095  -1.7013917497   0.6881238599
C    1.7388764363   1.7999627350   0.4857553440
C    3.6385831159   0.2309374208   1.1115360586
C   -0.5311650106  -1.7203185320   0.2249032218
C    2.9852708408  -0.1634164509  -1.6801237727
C    0.5274176110   2.0951249715  -0.1379924200
C    2.4684583431   2.8759673262   0.9765193357
C   -0.8986019815  -1.5564764575  -1.1050247503
C   -1.5325603108  -1.9278970364   1.1707124292
C    0.1142363349   3.4104895308  -0.2390751670
C   -2.2346775816  -1.5842707423  -1.4831420878
C   -2.8693865715  -1.9634678020   0.8100576359
C    0.9270792792   4.4032022482   0.2888025340
C   -3.2101059026  -1.7876112460  -0.5224710159
H    1.7735009613  -0.7443859022   2.4525005587
H    0.3673075635   0.0954179386   1.8288868929
H    1.1045545361  -2.6213643193   1.2444351519
H    4.3492639518   0.7840805206   0.4963901654
H    3.9443152188  -0.8160691143   1.1188660365
H    3.7325853222   0.5959041301   2.1344516538
H    3.9453674699  -0.6101161972  -1.3994264253
H    3.1426826978   0.8964095011  -1.8794637186
H    2.6508288395  -0.6226679813  -2.6106701443
H   -0.0853579592   1.3000516177  -0.5434420894
H    3.4182341831   2.7195678218   1.4737401618
H   -0.1495557195  -1.3986896578  -1.8681825016
H   -1.2716472375  -2.0699414938   2.2134925216
H   -0.8204581299   3.6672021375  -0.7191097541
H   -2.5052775303  -1.4492695301  -2.5219405849
H   -3.6319131525  -2.1298363451   1.5591469890
H    0.6337641175   5.4453026819   0.2261126715
*