! 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  -5.3681851375  -0.8443632541   0.7195056355
O    3.5940180188   0.7210699414  -0.0475119557
O    0.3148158463  -0.5375727706  -0.6673306891
N    1.1066139287   1.6334587336  -0.4714840349
N    1.0134859520   2.6547649355   0.3813269492
N    0.9808839997   3.3910612312  -1.7312356099
C    3.0404531785  -1.5303030731   0.5291572884
C    2.6519498117  -0.2878124245  -0.3047537354
C    1.2405796632   0.2656038141  -0.0030236934
C    4.3909073181  -2.0301754685   0.0053234273
C    3.1780333880  -1.1867313422   2.0141410928
C    2.0248263576  -2.6650808709   0.3746640070
C    1.0899714799   2.0851847044  -1.7303265561
C   -0.9907014229  -0.5390570857  -0.2906323364
C    0.9392134823   3.6878393234  -0.4166571754
C   -1.5489025517   0.3282582422   0.6407452568
C   -1.7880519984  -1.4977066262  -0.9100330603
C   -2.8994087897   0.2274566423   0.9508886578
C   -3.1321543944  -1.5935797305  -0.6029112314
C   -3.6831519495  -0.7278958628   0.3312592729
H    2.6630800400  -0.5779202313  -1.3655204123
H    1.0630623545   0.3062912854   1.0757786206
H    4.3363810629  -2.2933173543  -1.0542073407
H    5.1814987385  -1.2896688918   0.1255845101
H    4.6980067742  -2.9276894704   0.5461283995
H    3.9361978440  -0.4253549134   2.1979276382
H    3.4716629544  -2.0776079912   2.5731515922
H    2.2407378564  -0.8392947196   2.4548422646
H    1.0722030357  -2.4588993330   0.8635755575
H    2.4236714274  -3.5694063190   0.8390992001
H    1.8231950108  -2.9019649424  -0.6716202882
H    3.7178303779   1.2590616909  -0.8341153008
H    1.1497882960   1.4443911419  -2.5964108587
H    0.8472916372   4.6941356477  -0.0387811069
H   -0.9731629929   1.0981430442   1.1360136800
H   -1.3515990417  -2.1731058511  -1.6347046869
H   -3.3260439368   0.9062793411   1.6766525726
H   -3.7409531185  -2.3439049513  -1.0887156115
*