! 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   2.8104762758  -2.5207958130   1.5435661775
Cl   0.0770097771  -0.2056277518  -2.4704835835
Cl   4.7785764674   1.8225746874  -0.8922978804
O    0.4646909968  -2.0953844958  -0.3028511166
O   -1.8186110888  -0.0116533599   2.4404744828
N   -2.1409984314  -0.7287450565   0.3119178492
N   -2.3395769084   1.5460535005   0.8778710984
N   -3.0137280075   3.6304437276   1.0972908044
C   -2.9974706955  -0.6411913490  -0.8726136793
C   -1.7309469733  -2.0743504403   0.7006298145
C   -4.4059127785  -1.1754831642  -0.6398421221
C   -0.2435739982  -2.2237209490   0.9380227189
C   -2.0883463538   0.2076686735   1.2771063355
C   -5.2101958361  -0.3955738937   0.3878295103
C    1.4651200206  -1.2110218921  -0.3984233020
C   -1.8460202831   2.2321708632  -0.2098667629
C   -3.0201843730   2.4499971179   1.6378658324
C    2.6102200979  -1.2458596063   0.4001037032
C    1.4182626662  -0.2303984140  -1.3906793321
C   -2.2737043692   3.5108451068  -0.0504293970
C    3.6278512063  -0.3161205945   0.2649319811
C    2.4270568154   0.7006004492  -1.5606481160
C    3.5184396722   0.6574071939  -0.7113460177
H   -3.0548187707   0.3858910618  -1.2243006459
H   -2.5140098372  -1.2102205297  -1.6653390680
H   -2.0341118137  -2.7568883808  -0.0923070376
H   -2.2501028473  -2.4006407826   1.6051375888
H   -4.3670602342  -2.2316599314  -0.3590350013
H   -4.9155478938  -1.1409030052  -1.6060520919
H    0.1142565317  -1.4996925248   1.6704318262
H   -0.0660422669  -3.2220978123   1.3404261106
H   -5.2658178859   0.6651625085   0.1360860524
H   -6.2332811049  -0.7699818951   0.4361054957
H   -4.7994361833  -0.4847887593   1.3950488755
H   -1.2271475670   1.7728949843  -0.9613680399
H   -3.5112332889   2.1735683006   2.5579055724
H   -2.0829733808   4.3531545988  -0.6966282588
H    4.4973879561  -0.3658020633   0.9052048716
H    2.3536562888   1.4488163033  -2.3372754197
*