! 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   2.2732079150   1.2193408942  -2.1474188260
Cl  -7.0845669866  -2.6724100095   0.6959997323
O    2.9670447338  -1.1931919534   1.5967724778
O    3.8163253106  -0.3374254660  -0.2707938802
O   -2.5023439308   0.5708189071  -0.9661039949
N    3.3590386165   2.3458256103   0.7843423073
N    2.2790050055   3.1225799522   0.6784223614
N    3.9796806535   3.9792781875  -0.4989933454
C    2.8926906967  -0.0884217337   0.7364181638
C    3.4323864260  -2.3231045817   0.8519796668
C    3.3466598439   1.1276476810   1.5481882667
C    3.7373511721  -1.7256478462  -0.5252347277
C    1.4629064503   0.0725685576   0.2150616322
C    2.4185689490  -3.4424210634   0.8237697907
C    1.1070241278   0.6339786430  -1.0094879419
C    0.4168657939  -0.3170539341   1.0496304816
C   -0.2189240105   0.7580380037  -1.3966312069
C   -0.9146485946  -0.1791302811   0.7024226296
C   -1.2290699585   0.3556623109  -0.5388005936
C    4.3629259880   2.8647723603   0.0725366062
C    2.6971043128   4.0874053300  -0.0992151762
C   -3.5289891859  -0.2209465633  -0.5311150274
C   -3.4531208068  -1.6071812536  -0.5651961568
C   -4.6916281858   0.4112895867  -0.1191122517
C   -4.5488695679  -2.3624663275  -0.1795883017
C   -5.7926415562  -0.3433034552   0.2546645557
C   -5.7117849865  -1.7258979972   0.2263246763
H    4.3511429853  -2.6730887136   1.3316193198
H    4.3543977906   0.9443423765   1.9222851444
H    2.6888393435   1.2682486361   2.4046409934
H    4.6874060702  -2.0616767930  -0.9386631915
H    2.9462494810  -1.9546063032  -1.2502830773
H    2.1829672212  -3.7915791730   1.8294554074
H    2.8256035674  -4.2907038990   0.2704664540
H    1.4902693584  -3.1392393243   0.3371084855
H    0.6443958667  -0.7432883008   2.0169460571
H   -0.4706614718   1.1808703685  -2.3602683881
H   -1.6817129539  -0.4842873350   1.4015464025
H    5.3381960876   2.4079363003   0.0120668180
H    2.0539694055   4.9053737045  -0.3848924211
H   -2.5541105729  -2.1095522745  -0.8989802511
H   -4.7440566731   1.4920325450  -0.0983136315
H   -4.4915281573  -3.4419235186  -0.2082681400
H   -6.7005519999   0.1518375223   0.5707832640
*