! 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  -4.9074283720   5.0408039020   0.6613232683
O    1.5823776449   1.2148125689   0.5915474289
O    0.7056399539  -2.7912755961   1.0389692342
N    1.8563161593  -1.0058487215   0.2504928938
N    2.5052771658  -3.1995779006  -0.2870990746
N    4.1992176632  -4.5677164392  -0.6020668472
C    1.0655371028  -0.0198907757   1.0356366207
C    2.8262306420  -0.3214955894  -0.6390268961
C    2.1662432141   1.0554454557  -0.6759251713
C   -0.4497218298  -0.0881093652   0.7881226162
C    1.3594419675  -0.1258343193   2.5249413430
C    4.2119302288  -0.2200100481  -0.0072409444
C    2.9075765125  -0.8777823982  -2.0534402439
C   -0.9189683326  -0.2501672807  -0.6514280556
C    1.6127857062  -2.3107517442   0.3934306228
C   -2.4474928419  -0.2703457734  -0.7662883303
C   -3.0830827261   1.0435478030  -0.4073098072
C    2.1491102329  -4.0247089355  -1.3247716472
C    3.7419076882  -3.5888303759   0.1233870274
C   -3.0440041528   2.1125828167  -1.3007678140
C   -3.6978406657   1.2434262148   0.8252354062
C    3.2186928470  -4.8436058917  -1.5153587902
C   -3.5991339082   3.3419676616  -0.9825125861
C   -4.2595342985   2.4666355786   1.1641711750
C   -4.2047874571   3.5083976494   0.2535596324
H    2.8907739880   1.8546325647  -0.8355468170
H    1.4240771507   1.1098091874  -1.4802810558
H   -0.8502836499   0.8407610039   1.2047997981
H   -0.8741520617  -0.8921107999   1.3897151993
H    0.9744567979  -1.0521652874   2.9455409304
H    0.8801702404   0.6990898213   3.0537867452
H    2.4312220011  -0.0771105933   2.7192653393
H    4.7003959459  -1.1894209486   0.0680934163
H    4.1764439214   0.2215096522   0.9890610336
H    4.8508281825   0.4103732125  -0.6272941555
H    3.5375185731  -1.7610254555  -2.1351391000
H    1.9212164737  -1.1095972632  -2.4572268111
H    3.3509896336  -0.1155585226  -2.6970501247
H   -0.5385275494   0.5523556421  -1.2864883479
H   -0.5418786946  -1.1855013874  -1.0719617935
H   -2.8509059219  -1.0643096780  -0.1328029799
H   -2.7123262916  -0.5307055908  -1.7938897669
H    1.2037937849  -3.9393883177  -1.8342524510
H    4.2373854619  -3.1420317751   0.9710133962
H   -2.5765211289   1.9879370987  -2.2706971880
H   -3.7453502347   0.4310430043   1.5405387008
H    3.3341795085  -5.6148207099  -2.2606851142
H   -3.5627507667   4.1571464839  -1.6928705398
H   -4.7347321161   2.5995942818   2.1268326338
*