! 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   0.4886904090  -0.8841420932  -2.3046895604
Cl   5.1531879055  -0.3925157508   0.2707062789
O   -1.2888594347   1.1549493278   1.1346323398
N   -2.9080108486  -1.1709832355   0.6456748173
N   -5.0214529630  -0.7925919831   1.1375433171
C   -0.8543648324   0.1376531749   0.2744397557
C   -1.4699015338  -1.1761325963   0.7569329973
C    0.6521312269   0.0088136228   0.2544103677
C    1.3459119791  -0.4489624793  -0.8603232502
C    1.3986097547   0.3175086092   1.3871578880
C   -3.6349712303  -1.5473644740  -0.4504952909
C   -3.7885426648  -0.7175688031   1.5643259901
C   -1.4841865645   2.4090310857   0.4989056322
C    2.7260752504  -0.5755298220  -0.8737742100
C    2.7772861486   0.1944690566   1.4102759556
C    3.4303124187  -0.2464646416   0.2712312613
C   -4.9377266009  -1.3090576490  -0.1244300263
C   -0.2185255257   3.0086730315  -0.0282235702
C   -0.0021730483   3.2456871200  -1.3153843120
H   -1.2150391561   0.3282866184  -0.7444533049
H   -1.0793861094  -2.0083344681   0.1716538556
H   -1.1937109209  -1.3595275713   1.7962597088
H    0.8948253536   0.6747251019   2.2754217243
H   -3.1735421347  -1.9501210202  -1.3375166351
H   -3.4727359982  -0.3546093219   2.5302290728
H   -2.2200051218   2.3128654987  -0.3093355934
H   -1.9205909043   3.0564248703   1.2625901013
H    3.2378791485  -0.9223290391  -1.7608339900
H    3.3312876520   0.4442175607   2.3046042733
H   -5.8144976351  -1.4902435499  -0.7272087417
H    0.5459285167   3.2545049800   0.7026728639
H    0.9224515078   3.6887711096  -1.6631649164
H   -0.7385992611   3.0053953567  -2.0739995079
*