! 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   1.6386464212  -0.4247065654   2.2507933756
Cl   3.9742827256  -3.5798189304  -1.3510651819
O   -1.3976093026   0.3219450908  -0.9966047534
O   -1.0694284164   0.0653604035   1.1837350444
N   -0.8327824066   2.7428422448   0.4312592823
N   -0.9897585411   3.0999968274   1.7069401739
N   -2.5328113323   4.0892544164   0.4212136891
C   -0.4160400468   0.3611929335  -0.0048250388
C   -2.4489062909  -0.5514969465  -0.5789351455
C   -2.0545782527  -0.8974985527   0.8628412072
C    0.1591993682   1.7780135321   0.0416471175
C    0.6995522937  -0.6407350470  -0.3108506327
C   -3.7869571076   0.1488911950  -0.7073033208
C   -4.1049589080   0.5926212500  -2.1259053381
C    1.6435839205  -1.0427456143   0.6333724537
C    0.8202608490  -1.1674722951  -1.5933086920
C    2.6496848671  -1.9458163134   0.3234170285
C    1.8160503368  -2.0679313313  -1.9319174363
C   -1.7614219255   3.3351609979  -0.3236872457
C    2.7230762120  -2.4538561097  -0.9615070998
C   -2.0148021821   3.9090474550   1.6529281623
H   -2.4414060131  -1.4489546754  -1.2072926620
H   -2.8783832669  -0.7972064972   1.5700958189
H   -1.6568397978  -1.9147894574   0.9410817596
H    0.5446712431   2.0349346216  -0.9450584276
H    0.9868525388   1.8451541756   0.7448258669
H   -3.8194987036   1.0031233940  -0.0238797977
H   -4.5557878220  -0.5495030774  -0.3643345249
H   -4.1223347409  -0.2543293608  -2.8145458527
H   -5.0842436822   1.0694494827  -2.1718687035
H   -3.3774398177   1.3109891365  -2.5034086495
H    0.1181426732  -0.8686213544  -2.3588955660
H    3.3647097086  -2.2443136716   1.0773324332
H    1.8761454107  -2.4580202156  -2.9382384018
H   -1.8268440837   3.2006987120  -1.3912690728
H   -2.4043742963   4.3926733400   2.5352310049
*