! 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  -2.0315853373  -1.6619189906   2.0375033142
Cl  -4.0541460877   2.3768534016  -0.9672025394
O   -0.2120667472  -1.9504734808  -0.0826741790
O    2.5100684696  -1.0865023154  -2.1546279832
N    2.1115780921  -0.5581395132   0.0304298949
C    0.7858708573  -2.2877560532  -1.0302694583
C   -1.0673901964  -0.9451331211  -0.3537725125
C    1.8872143745  -1.2289192618  -1.1182700454
C    1.3785332523  -3.6171402743  -0.6028503495
C   -2.9886316973   0.3279260446   0.4825223908
C   -2.0368421769  -0.6811519428   0.6154694284
C   -1.0460682221  -0.1664587823  -1.5025583605
C    3.0347821744   0.4590240797   0.3015807338
C   -2.9264676284   1.0872282384  -0.6881270236
C   -1.9753281178   0.8468993037  -1.6623555496
C   -4.0052352228   0.5488020290   1.5572971414
C    3.9614554484   0.9458058442  -0.6202773522
C    2.9990136887   1.0053674074   1.5861734892
C    4.8267793288   1.9649091201  -0.2448658445
C    3.8695902216   2.0188141787   1.9453977173
C    4.7915713252   2.5083387218   1.0298325523
H    0.3532569655  -2.3929459629  -2.0302378409
H    1.8197231328  -3.5629993708   0.3929688341
H    2.1547559418  -3.9197536183  -1.3044503511
H    0.6098406799  -4.3894576211  -0.6018065985
H    1.5258521768  -0.8133071617   0.8130072131
H   -0.3234496208  -0.3236268480  -2.2911277420
H   -1.9468966195   1.4505650781  -2.5587342060
H   -4.6719191765   1.3741013206   1.3261319359
H   -3.5259028479   0.7688156243   2.5117874233
H   -4.6194811653  -0.3409535110   1.7016164326
H    4.0186057117   0.5465800780  -1.6193756899
H    2.2828018526   0.6350065468   2.3108888969
H    5.5397394525   2.3346809653  -0.9705575888
H    3.8232332499   2.4273139311   2.9464424847
H    5.4725125853   3.3018522642   1.3073846430
*