! 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   0.3372213874  -0.8224122021  -2.1690509902
Cl  -4.4405921402  -1.2685331208   0.1891362773
O    3.5699775237  -1.3794623232   0.4766250287
N    2.2402927038  -1.6054155296   0.2998539315
N   -0.4595498789   3.4922184896   0.6412522174
C    1.9339618775   0.6587767988   1.2914697293
C    1.4995923362  -0.6512505674   0.6874118584
C    0.0389936924  -0.8526496950   0.5290482566
C    1.2475506581   1.8068237662   0.6050141066
C   -0.5853525402  -0.9279984468  -0.7127899111
C   -0.7664263245  -0.9030174249   1.6635657592
C    1.6063753673   2.1965589155  -0.6799180052
C    0.2037809778   2.4956874585   1.2118605422
C   -1.9614021023  -1.0570789935  -0.8281868841
C   -2.1406461611  -1.0372234839   1.5786084641
C   -2.7248443036  -1.1120375328   0.3248228114
C    0.9233187815   3.2373504865  -1.2858847489
C   -0.1034985617   3.8512761127  -0.5855124292
C    4.3188568978  -2.4476734723  -0.0710529806
H    1.6770485743   0.6557720217   2.3553393993
H    3.0154995497   0.7738302929   1.2347652305
H   -0.3082355632  -0.8401111032   2.6425405956
H    2.4136317826   1.6954659675  -1.2003663817
H   -0.1066081234   2.2258789622   2.2169879484
H   -2.4267562532  -1.1081883112  -1.8025928744
H   -2.7412193200  -1.0802209838   2.4763556710
H    1.1771309363   3.5675031573  -2.2839643733
H   -0.6606899595   4.6659243094  -1.0345034806
H    5.3651861046  -2.2095527001   0.1126431082
H    4.1622676524  -2.5441745906  -1.1479924459
H    4.0828121932  -3.3992446650   0.4111491674
*