! 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   1.0768119379   1.6863502039  -0.5133403337
O   -3.6977993109   0.9807835426   1.1467620963
O    2.1217261156  -1.2949691031   2.6848652788
N    0.2152837433  -0.9084138109   1.5697490234
N    3.2449259461   0.3856115740  -1.2914577524
N    4.0546310241  -0.6410223037  -1.0169592895
C   -3.8743644155   0.6953154088  -0.2435608287
C   -2.6598951391  -0.1226040027  -0.5895456101
C   -2.3990159948   0.6454486323   1.6171031574
C   -1.8077579485  -0.1592878735   0.4954469413
C   -3.9188409720   1.9944093331  -1.0431321806
C   -5.1676238878  -0.0891475899  -0.4138201631
C   -0.6132143014  -0.8663366545   0.4366192573
C   -2.3446175625  -0.7630623522  -1.7751166645
C   -1.6099399857   1.8961295098   1.9702707593
C   -0.3104889925  -1.5562944840  -0.7355532511
C   -1.1585262393  -1.4837948157  -1.8323470392
C    1.5711061234  -0.9633449604   1.6461149122
C    2.3667064034  -0.5974088721   0.4655815372
C    3.5554289165  -1.2380670661   0.0446493038
C    2.2253713404   0.4439629130  -0.4287181184
C    4.2074654688  -2.4401292852   0.6275019302
C    3.5296324878   1.2837863379  -2.3854294596
H   -2.5139713445   0.0376283767   2.5244734348
H   -2.9968311085   2.5662991384  -0.9284144413
H   -4.7516447446   2.6221318985  -0.7200436287
H   -4.0517445933   1.7904456310  -2.1067658850
H   -5.1413184082  -1.0248040311   0.1464417829
H   -5.3396710784  -0.3311556891  -1.4635303537
H   -6.0235194392   0.4932115314  -0.0670970104
H   -3.0053483586  -0.7248242797  -2.6325251117
H   -1.4681863410   2.5375221792   1.1000085718
H   -2.1338244420   2.4704887000   2.7356717800
H   -0.6276910874   1.6413746864   2.3680245673
H    0.5824122692  -2.1634090365  -0.7964513573
H   -0.8965968096  -2.0209871391  -2.7346739482
H   -0.2494206443  -1.0359216053   2.4599875184
H    3.5283535466  -3.2933929385   0.6492719682
H    5.0778719579  -2.7187097126   0.0355099124
H    4.5345912051  -2.2608258190   1.6507641739
H    2.7012931266   1.3120161071  -3.0907368540
H    3.7295261567   2.2908420212  -2.0230458636
H    4.4123116414   0.9119752600  -2.8954495708
*