! 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   1.6111428288   1.9945634502   1.7984774618
Cl   4.5871455608  -0.3722329800  -1.9319163256
O   -1.5063660777  -1.0455207756   0.6163553659
O   -0.6184356167   0.0909904112   2.3254213452
N   -1.5576064447   1.3984884516  -0.9448756276
N   -0.6821125230   2.1022603542  -1.6656240730
N   -2.1039496265   1.0123488718  -3.0072419953
C   -0.7200956410   0.0678093338   0.9378164338
C   -1.6418344075  -1.8872315516   1.7642800885
C   -0.6507823653  -1.2634204802   2.7409164663
C   -3.0732800795  -1.8771836811   2.2752308001
C   -1.4618428693   1.3335693693   0.4903764019
C    0.6444148799  -0.0509184075   0.2588476804
C   -4.1326412139  -2.2125906617   1.2306129003
C    1.7204934533   0.7780411344   0.5701672708
C    0.8334084353  -0.9786285737  -0.7601984761
C   -3.9894759649  -3.5966205666   0.6167192666
C    2.9349209107   0.6830119698  -0.0915582455
C    2.0328087454  -1.0927549636  -1.4428905734
C   -2.3949735681   0.7481265248  -1.7570336141
C    3.0779008510  -0.2555786668  -1.0981630420
C   -1.0487364749   1.8430556360  -2.8933599110
H   -1.3367923756  -2.8998196133   1.4877140225
H   -0.9768623143  -1.3017337705   3.7799489539
H    0.3405469730  -1.7245847188   2.6701439524
H   -3.2936323680  -0.8984755953   2.7137933177
H   -3.1304338402  -2.6004156749   3.0952162157
H   -0.9538034021   2.2326951086   0.8300765449
H   -2.4638679889   1.3289497674   0.9199430347
H   -4.1243648546  -1.4565788797   0.4418644811
H   -5.1128423059  -2.1319071646   1.7067985496
H    0.0220329756  -1.6355661097  -1.0384812363
H   -3.0714103059  -3.7004925993   0.0361129254
H   -3.9846977489  -4.3746492078   1.3829506806
H   -4.8189044691  -3.8106813803  -0.0589913581
H    3.7536678028   1.3370223436   0.1747384685
H    2.1413088912  -1.8247327099  -2.2310911963
H   -3.1914483503   0.1153354515  -1.3995091961
H   -0.5400936194   2.2743112654  -3.7415811565
*