! 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  -5.5529801857   1.8329759160  -1.9810005127
O    1.2188397188   1.2827954901  -0.4142056528
O    2.1805699201  -1.6381204603   2.3460630188
N    1.7429340733  -0.7955408699   0.2863867534
N    2.5745299293  -2.9785166148   0.5538587801
N    2.6378053342  -5.1537645775   0.2281615672
C    1.4011870935   0.5732294109   0.7860834066
C    1.5356211963  -0.8842969992  -1.1796810187
C    0.7057228104   0.3873356549  -1.3659293554
C    0.1081706994   0.5315097703   1.6135548846
C    2.5654542071   1.2204138950   1.5171935752
C    2.8455126831  -0.7672519456  -1.9543799445
C    0.7290837857  -2.0895516590  -1.6419113888
C   -0.2885714217   1.8337822582   2.3066817376
C    2.1453981428  -1.7407147335   1.1378606150
C   -0.7134491693   3.0064831111   1.4177721661
C   -1.9144546731   2.7153969891   0.5602024737
C    3.8350131266  -3.2643998742   0.0872337613
C    1.9083970432  -4.1593921386   0.6438777281
C   -1.8334949606   2.7021256420  -0.8287875279
C   -3.1545508034   2.4556037139   1.1433677420
C    3.8450989480  -4.6101817728  -0.1159769843
C   -2.9434656385   2.4327532236  -1.6183454738
C   -4.2748857325   2.1843696268   0.3743046510
C   -4.1578268282   2.1719583404  -1.0075105912
H    0.8228153227   0.8172580531  -2.3604585961
H   -0.3614488255   0.1872433924  -1.2074488506
H    0.2275440385  -0.2207506744   2.3927026755
H   -0.7136950246   0.1781892104   0.9836476751
H    2.6823881056   0.8338349523   2.5263610947
H    2.4055692844   2.2963210046   1.5908154874
H    3.4983524886   1.0609101972   0.9752559441
H    3.4193935494   0.1095935754  -1.6523620382
H    2.6328691431  -0.6766590869  -3.0207176907
H    3.4742201185  -1.6468013357  -1.8308666000
H    1.3247236863  -2.9960764850  -1.7266268080
H   -0.1211237309  -2.2842854940  -0.9874207207
H    0.3333158067  -1.8807445043  -2.6377405286
H   -1.1147554067   1.5946091519   2.9818836288
H    0.5216711543   2.1695434097   2.9584633216
H    0.1145871520   3.3365972815   0.7905748080
H   -0.9481426868   3.8476003822   2.0763117386
H    4.5975917576  -2.5127241688  -0.0282197850
H    0.8907777235  -4.2180951878   0.9982692968
H   -0.8892175573   2.9157826886  -1.3130665979
H   -3.2585762020   2.4728481644   2.2220790125
H    4.6594839154  -5.2140958018  -0.4846684808
H   -2.8563884853   2.4298283355  -2.6967344309
H   -5.2279566794   1.9909619891   0.8483976141
*