! 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   6.0479318379   1.4813846025  -0.4820382870
O   -2.4580360519  -0.7736455907  -1.3561591942
N   -2.7178721364   1.5283168207   0.2700242203
N   -1.8558093323   2.4887968811   0.6157374797
N   -3.2686462993   3.2411275457  -0.9455099378
C   -1.8625336109  -0.7794972665  -0.0736360021
C   -1.8146697085  -2.1902215524   0.5743960102
C   -0.3800104882  -0.4368378584  -0.3192374185
C   -0.4751925145  -2.8098216742   0.1089726743
C    0.1624744040  -1.7756395198  -0.8241975692
C   -3.0629826949  -3.0721168279   0.3640753770
C   -2.6345707535   0.1954112847   0.8243994709
C    0.3732913015   0.0390678947   0.9338792075
C   -3.1132895513  -3.8260276723  -0.9673559214
C   -3.1888179059  -4.0759105446   1.5078740162
C    1.7971275007   0.3989549435   0.6167552310
C   -3.5505427261   1.9906203965  -0.6641198064
C    2.0804272567   1.5634061061  -0.0956146966
C    2.8617323161  -0.4150588248   0.9894437517
C    3.3793351247   1.9044528434  -0.4367226373
C    4.1708871683  -0.0908377363   0.6596923307
C   -2.2220445855   3.4943371601  -0.1373894096
C    4.4180355905   1.0678644737  -0.0566443632
H   -1.7498381903  -2.0173407736   1.6548214568
H   -0.3056215465   0.3475192301  -1.0790290173
H   -0.6004804315  -3.7729478196  -0.3851835965
H    0.1693829390  -2.9973837793   0.9699063150
H    1.2524566413  -1.8208421826  -0.8221515471
H   -0.1543355414  -1.9419592426  -1.8548602753
H   -3.9496863978  -2.4257192388   0.4177582362
H   -2.1908955802   0.2748672706   1.8147133857
H   -3.6540732414  -0.1697960934   0.9693861347
H    0.3528287853  -0.7247256178   1.7151784202
H   -0.1160450237   0.9223627941   1.3435734311
H   -3.3329786976  -1.1740740437  -1.3082485680
H   -4.1114054973  -4.2379384984  -1.1265506772
H   -2.8740940212  -3.2084108847  -1.8324301535
H   -2.4215253986  -4.6702843595  -0.9759462651
H   -2.3133069509  -4.7286006544   1.5570334583
H   -4.0649363407  -4.7148649335   1.3792250241
H   -3.2843064746  -3.5770972848   2.4742527180
H   -4.3442092553   1.4007962554  -1.0944041377
H    1.2720967931   2.2234216030  -0.3895450625
H    2.6759370438  -1.3226986325   1.5513136946
H    3.5764162972   2.8126366492  -0.9905592695
H    4.9833596062  -0.7391358713   0.9594647079
H   -1.7210109566   4.4493078774  -0.0926193123
*