! 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   0.6671348573   0.1331324104   2.9299731008
Cl   3.7087429067   2.8298999896  -0.5146360235
O   -2.0631836899  -0.4693669627  -0.6220524851
O   -1.9436101441  -0.0677695257   1.5907250840
N   -0.0430835376  -2.5014950269  -0.4043762738
N    1.2914773220  -2.4814862980  -0.3749391378
N    0.5637995354  -3.2150435370  -2.3603742253
C   -1.2146240033  -0.5274449370   0.4918343782
C   -3.2927355538   0.1583915491  -0.2562433358
C   -3.3183184602  -0.0779337279   1.2440486324
C   -0.8186558343  -2.0014621599   0.7013112368
C    0.0171348832   0.3426574734   0.2796221503
C   -3.3325388102   1.6230344554  -0.6577959897
C   -3.2505548316   1.8369997180  -2.1605551821
C    0.9055012645   0.6722881938   1.3011634119
C    0.3261254891   0.7928652583  -0.9993732758
C    2.0372429138   1.4388545343   1.0679072528
C    1.4510932952   1.5551712692  -1.2631282107
C   -0.4638103852  -2.9343088388  -1.5960834363
C    2.2982075950   1.8760602665  -0.2184711552
C    1.6109181871  -2.9198791411  -1.5644578065
H   -4.0977392260  -0.3841210090  -0.7586580502
H   -3.8237569018   0.7090823274   1.8042636756
H   -3.7859348951  -1.0360501812   1.4960924227
H   -1.7186578404  -2.6079680044   0.8105611762
H   -0.2243996311  -2.1209222930   1.6042230096
H   -4.2748865507   2.0365482549  -0.2876573753
H   -2.5355250626   2.1744902961  -0.1497442976
H   -4.0661469667   1.3277832090  -2.6782654085
H   -3.3203101397   2.8972823689  -2.4056111519
H   -2.3138290171   1.4692333663  -2.5802409878
H   -0.3234056116   0.5396602800  -1.8243017578
H    2.7047111092   1.6865889631   1.8815229599
H    1.6571695726   1.8870372569  -2.2710769958
H   -1.5061670247  -3.0349664168  -1.8531896477
H    2.6392856625  -3.0351119614  -1.8703992314
*