! 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   3.9720893967   3.6195898244   0.9663792731
O   -0.7901252060  -0.1430472419   1.0323340527
N   -1.2491691040  -2.8609281392  -0.0222155332
N   -0.1814547511  -2.9489267169   0.7773471679
N   -0.0880197953  -4.5164660157  -0.8112700939
C   -1.7399945892  -0.4160879502   0.0279157722
C   -2.9128576794   0.5969821089   0.2568921686
C   -1.1408384849  -0.2556004966  -1.3953102053
C   -2.2662290820  -1.8556364343   0.2058586378
C   -3.5859368325   0.3690162607   1.6161056965
C   -2.3769213965   2.0343687232   0.2490714642
C   -3.9789911945   0.4720446742  -0.8353878131
C    0.3631306081  -0.4987988105  -1.5602739947
C    1.2554306543   0.5310888706  -0.9194304744
C   -1.1795715025  -3.8001401845  -0.9641474630
C    1.1544471964   1.8784652441  -1.2565782733
C    2.2309976528   0.1631044520   0.0017447394
C    0.4865643472  -3.9561590346   0.2667694495
C    1.9809814880   2.8327585278  -0.6841190180
C    3.0717122051   1.0999464216   0.5844684747
C    2.9342829633   2.4338627637   0.2391512574
H   -1.3487218901   0.7461306592  -1.7725544924
H   -1.6669948512  -0.9220568757  -2.0845218957
H   -2.6457247430  -2.0084662195   1.2156310222
H   -3.0760787151  -2.0669410776  -0.4894999948
H   -4.1249232475  -0.5786694211   1.6740738550
H   -4.3252840408   1.1528024056   1.7960369302
H   -2.8708902549   0.4013889458   2.4386591847
H   -1.6225983379   2.2004291025   1.0170429614
H   -3.1978934979   2.7286044266   0.4416880470
H   -1.9426485822   2.3241233862  -0.7086406940
H   -4.7719117543   1.2025316650  -0.6621501331
H   -3.5855918429   0.6638308957  -1.8345448735
H   -4.4580187356  -0.5085645218  -0.8496075187
H    0.5607553980  -0.4992023620  -2.6361953651
H    0.6579306839  -1.4906805773  -1.2165316925
H   -0.2176294884  -0.9127449329   1.1558919972
H   -1.9354656746  -3.9281026886  -1.7230879391
H    0.4183082076   2.2028214516  -1.9823498140
H    2.3423760885  -0.8782801000   0.2809036780
H    1.4215833392  -4.2911027062   0.6883739903
H    1.8812385050   3.8741208402  -0.9598258798
H    3.8190422993   0.7883788617   1.3019755163
*