! 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  -5.2804115804  -0.9539012681   0.7700841436
O    3.0281514770   1.6275925720   0.5355876731
O    2.5604610792  -2.1427413813  -1.7115023303
N    2.5984641152  -0.4537381543  -0.2023591310
N    0.6242648971  -1.6752395311  -0.6448705122
N   -1.4698189414  -2.1062790008  -1.1712156627
C    1.9838903648   0.6864117003   0.5527483372
C    4.0615319309  -0.2411276292  -0.3432674825
C    4.2369040010   0.9172058201   0.6355421335
C    0.7912007096   1.3116086397  -0.1635797545
C    1.6572147755   0.3085755559   2.0001675043
C    4.8837313470  -1.4435551511   0.0945467284
C    4.4395351585   0.2184906475  -1.7510590898
C    0.3464732762   2.6389629970   0.4443283485
C    2.0079894814  -1.4380686326  -0.8916341396
C   -0.9667211880   3.1398794158  -0.1666792363
C   -2.0969284854   2.1715330539   0.0456744111
C    0.0018073513  -2.0607224545   0.5192675685
C   -0.3103240236  -1.7457499448  -1.6332689794
C   -2.5908291850   1.3970105218  -0.9983467292
C   -2.6276326765   1.9716151253   1.3189885566
C   -1.2885353003  -2.3123190896   0.1689416110
C   -3.5725661332   0.4398271854  -0.7889593899
C   -3.6107364844   1.0228861134   1.5491475097
C   -4.0710093080   0.2582072087   0.4881165590
H    4.4166948174   0.5616350131   1.6582394804
H    5.0602706613   1.5755340447   0.3583370812
H   -0.0483673378   0.6188821864  -0.1266932069
H    1.0409476848   1.4583939485  -1.2189962210
H    0.6665405645  -0.1300667230   2.0924604158
H    1.6698884746   1.2022581092   2.6239999798
H    2.3766066253  -0.3955189994   2.4180641053
H    4.8719330922  -2.2473827543  -0.6383400198
H    4.5321055505  -1.8404052951   1.0480443067
H    5.9230315485  -1.1372379493   0.2282079943
H    5.5045140351   0.4549803527  -1.7810998590
H    4.2520394409  -0.5474635697  -2.4994347127
H    3.8924116656   1.1184228539  -2.0364540720
H    0.2087819345   2.5384814393   1.5242356126
H    1.1135265876   3.4018970486   0.3002066964
H   -0.8304399836   3.3217034007  -1.2357319181
H   -1.2116001716   4.1053678006   0.2832703902
H    0.5264605493  -2.1727709040   1.4513344909
H   -0.0793753213  -1.4973306575  -2.6577274811
H   -2.1923858718   1.5261450516  -1.9975864590
H   -2.2677889443   2.5621167608   2.1537801421
H   -2.0916021493  -2.6406367370   0.8098280486
H   -3.9279748906  -0.1646109130  -1.6114679622
H   -4.0089623582   0.8804958551   2.5450341964
*