! 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  -0.0936473035  -0.3686284167   1.7837245362
Cl   1.8863722049  -4.3376063485  -1.1376088649
O   -1.2973580807   1.5410038358  -0.0525204566
O   -0.8074058483   1.6104661661  -2.2190351325
N    1.5172675372   2.1901340374   0.5276472443
N    2.5657550448   1.3787444746   0.6845354509
N    2.0404693783   2.3650158802   2.6233839911
C   -0.2682590290   1.3175238081  -0.9629194190
C   -2.5497065628   1.3321148087  -0.7100248787
C   -2.1493890935   1.1608388687  -2.1798970415
C   -3.3067472123   0.1462918790  -0.1461278222
C    0.8561089082   2.3358229580  -0.7397855442
C    0.2487775234  -0.1241616205  -0.9325666361
C   -3.7869233820   0.3487342203   1.2848872507
C    0.3562708807  -0.9183511325   0.2077014868
C    0.6920212180  -0.6778718055  -2.1323350447
C   -4.4910761146  -0.8793445951   1.8394671709
C    0.8534395100  -2.2134989673   0.1478741167
C    1.1975871989  -1.9623456150  -2.2187271775
C    1.2115879971   2.7669226479   1.6928451876
C    1.2683913653  -2.7252735455  -1.0670677643
C    2.8424903642   1.5121324562   1.9556569706
H   -3.1417258376   2.2427119926  -0.5733851305
H   -2.2265166863   0.1152661007  -2.5012370579
H   -2.7423924995   1.7722993782  -2.8587388823
H   -2.6825001115  -0.7506445876  -0.2157193755
H   -4.1709150626  -0.0336373859  -0.7950076260
H    0.4318180765   3.3386807574  -0.7956344947
H    1.6031643194   2.2411185479  -1.5269157107
H   -4.4642778308   1.2072008559   1.3188602360
H   -2.9395762576   0.5990743282   1.9262676666
H    0.6394652896  -0.0896549173  -3.0380882739
H   -5.3481078116  -1.1624689716   1.2252144508
H   -3.8175677663  -1.7375398156   1.8792350696
H   -4.8572104922  -0.7053140703   2.8520842902
H    0.9174664381  -2.8104498219   1.0469566479
H    1.5270246867  -2.3552176650  -3.1704463142
H    0.3990451702   3.4667959699   1.8074035946
H    3.6617680868   0.9828930842   2.4171558700
*