! 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  -0.0968585496  -0.8975329795   2.3488045204
Cl   0.2680295570  -5.2392436715  -0.7167313930
O   -0.6320852323   1.2870084022   0.4350072033
O    0.4333371638   1.3563800500  -1.5280566618
N    1.8545801701   2.6704658435   0.5088698759
N    2.4843879202   3.3963771569  -0.4169371945
N    1.5419138005   4.7287464920   1.1156260701
C    0.4757996397   0.7883592874  -0.2581267946
C   -1.5558646463   1.8697190935  -0.4840307765
C   -0.9315585509   1.5618683666  -1.8410219781
C   -2.9673659969   1.3453802983  -0.2841906878
C    1.7739712517   1.2380564293   0.4199464506
C    0.4289228606  -0.7377209681  -0.3328497050
C   -3.1298484664  -0.1703110940  -0.2701761702
C    0.1724283749  -1.5530535127   0.7680465729
C    0.6647548626  -1.3701413729  -1.5497397468
C   -4.5913071822  -0.5789129173  -0.1558533214
C    0.1226890506  -2.9346094386   0.6602189133
C    0.6179454689  -2.7467718268  -1.6881279168
C    1.2916530137   3.4771195401   1.4127796049
C    0.3403510074  -3.5192339060  -0.5748307977
C    2.2746199122   4.6212563931  -0.0112990507
H   -1.5602760137   2.9526326071  -0.3179340572
H   -1.3681818878   0.6750011014  -2.3140921625
H   -1.0090632619   2.3935115011  -2.5400356738
H   -3.5825446977   1.7791409718  -1.0804493275
H   -3.3639140944   1.7543711204   0.6496815711
H    2.6329002613   0.8812602952  -0.1461425439
H    1.8444339953   0.8181140920   1.4216069178
H   -2.5716145861  -0.5900174559   0.5685943372
H   -2.7064339735  -0.6172020968  -1.1739008289
H    0.8873058004  -0.7740712878  -2.4238290790
H   -4.6982775083  -1.6641392939  -0.1246310656
H   -5.0476056226  -0.1793012666   0.7522066363
H   -5.1761125242  -0.2159681308  -1.0035352027
H   -0.0832694290  -3.5421632747   1.5305709936
H    0.7959922651  -3.2028163824  -2.6520780914
H    0.7289282935   3.1144447867   2.2583002088
H    2.6694191445   5.4727176614  -0.5438449612
*