! 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  -4.9655323923   1.2792268613  -2.4358087082
O    1.8175906787   1.4821419273  -0.6164346834
O    2.1758927427  -1.2903839321   2.4305186643
N    1.8896212239  -0.5882203688   0.2903559274
N    1.8687474185  -2.8696664532   0.8303294123
N    0.9238625929  -4.7780561088   0.2783168943
C    1.8287142825   0.8609949428   0.6473808363
C    1.9931613934  -0.7530532783  -1.1832903433
C    2.4988965175   0.6485230578  -1.5170365443
C    0.5043422196   1.1785356746   1.3367383329
C    3.0500469998   1.3317933685   1.4320728967
C    3.0053929669  -1.7886393803  -1.6488974884
C    0.6331906966  -0.9774671827  -1.8390841333
C    0.2445483640   2.6654096188   1.5511100935
C    1.9952912924  -1.5103511984   1.2512671202
C   -1.2052063213   2.9403133888   1.9681069334
C   -2.1896918229   2.5495772573   0.9007412051
C    2.8237158305  -3.8393599051   1.0082659242
C    0.7388827615  -3.4963393215   0.4070910909
C   -2.2971644937   3.2999419745  -0.2687623626
C   -2.9719917871   1.4045771555   1.0166484394
C    2.2249743138  -5.0032190458   0.6372609903
C   -3.1470175362   2.9208932783  -1.2955210344
C   -3.8291858064   1.0063708620   0.0000141541
C   -3.9057947816   1.7692533709  -1.1524733539
H    3.5884701849   0.7131098584  -1.3939438738
H    2.2540219936   0.9497492548  -2.5357343845
H    0.4669005643   0.6658502247   2.2997199550
H   -0.2921409712   0.7505208356   0.7226175989
H    3.0893496826   2.4211997618   1.4063385920
H    3.9787295864   0.9587569351   0.9973106190
H    3.0179587481   1.0248708859   2.4733757522
H    3.9315061893  -1.7442589626  -1.0748745382
H    3.2570679684  -1.5763043490  -2.6898875223
H    2.6243049085  -2.8075522934  -1.6227484141
H   -0.0918401863  -0.2167845280  -1.5486349383
H    0.7393276777  -0.9372968142  -2.9240287207
H    0.2163666185  -1.9527612286  -1.5985147224
H    0.9070374154   3.0574967675   2.3266038214
H    0.4617468957   3.2296147094   0.6408893151
H   -1.3078778923   4.0047652752   2.1927480284
H   -1.4299843119   2.4047606994   2.8940561404
H    3.8206632836  -3.6131617494   1.3473863964
H   -0.1893762289  -2.9693595370   0.2544657473
H   -1.7045134813   4.1993513649  -0.3889160819
H   -2.9116901170   0.8009092647   1.9144058245
H    2.6606520236  -5.9897514255   0.6118780398
H   -3.2142155508   3.5174117674  -2.1955303211
H   -4.4244115196   0.1097642954   0.1101758901
*