! 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   5.0295697676   4.6223132182  -0.1980661649
O   -0.6675399448  -1.7168255134   1.3498246627
N   -1.5204283622  -3.4376716643  -0.9117932454
N   -1.8403435809  -4.0586084991   0.2275680654
N   -3.1164070234  -4.8090329562  -1.4441023520
C   -0.7847689681  -1.2544490761   0.0273056919
C   -2.1655456819  -0.5908990828  -0.3236418587
C    0.2853070372  -0.1630170546  -0.2458896542
C   -1.8345392540   0.8479768686  -0.7385564971
C   -0.4046071810   0.7566549159  -1.2535917878
C   -3.2890112720  -0.7457284919   0.7133168874
C   -0.4936729023  -2.4180424883  -0.9385094421
C    0.7291768484   0.5814399064   1.0236639657
C   -3.1431569869   0.1303207495   1.9545576551
C   -4.6430591151  -0.4857944329   0.0563488440
C    1.7968733745   1.5984934068   0.7336738583
C   -2.2918070754  -3.8926298328  -1.8983177149
C    1.5149575480   2.9609609110   0.6963750007
C    3.1061123827   1.1952124831   0.4752920680
C    2.4987919887   3.8978702136   0.4109080066
C    4.1033100168   2.1134689351   0.1874645535
C   -2.8022485984  -4.8704081577  -0.1388517147
C    3.7886094155   3.4634980184   0.1568835308
H   -2.5311144576  -1.0874938526  -1.2304478332
H    1.1808139340  -0.6188356562  -0.6835439540
H   -1.8811467632   1.5320170265   0.1117401096
H   -2.5274861574   1.2344803560  -1.4875426574
H   -0.3936041371   0.3015910461  -2.2487756878
H    0.0854292678   1.7264962004  -1.3529121189
H   -3.2958145717  -1.7895897425   1.0448988446
H    0.4612042725  -2.8817344174  -0.6827283553
H   -0.4250423440  -2.0624187756  -1.9658671977
H    1.1165824137  -0.1386637403   1.7453946257
H   -0.1211160918   1.0713110122   1.5041777229
H   -1.1656777048  -2.5430970590   1.4362937456
H   -2.1698273708   0.0226586787   2.4311671039
H   -3.2910761836   1.1881235476   1.7270126352
H   -3.8991596067  -0.1396549467   2.6951118440
H   -4.8143556126  -1.1530704951  -0.7911732802
H   -4.7241415310   0.5404177369  -0.3099573594
H   -5.4603745128  -0.6423182078   0.7634719005
H   -2.2161675820  -3.5363700851  -2.9137483671
H    0.5084261324   3.3073730840   0.8987969866
H    3.3619223228   0.1422925156   0.5041990638
H    2.2567978956   4.9520692662   0.3905331092
H    5.1135648077   1.7781335367  -0.0056168541
H   -3.2898054676  -5.5294491650   0.5624981713
*