! 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   5.0597113830   2.6607307501  -1.5169789408
O   -2.4183529513  -0.4663777765   1.8571947863
N   -1.2693442653  -2.5717666303   0.1167248372
N   -1.0019177877  -2.9651933495   1.3658603473
N    0.6137900470  -3.6424034649  -0.0208542728
C   -2.3578798684  -0.3596814127   0.4499873756
C   -3.6132436914   0.4714683925   0.0263054174
C   -1.0453450552   0.3321328959  -0.0142560012
C   -2.4390572809  -1.7696299083  -0.1716062970
C   -4.9118026299  -0.2706749540   0.3666126212
C   -3.6335846163   1.8068035426   0.7810076053
C   -3.6086258677   0.7637739283  -1.4771404809
C    0.1257374951   0.2648673905   0.9722003513
C    1.3672339480   0.8605486620   0.3717047171
C   -0.2974506325  -2.9791441342  -0.6982780657
C    2.3139457716   0.0570247035  -0.2582682657
C    1.5887856549   2.2354384452   0.4001637237
C    0.1372517172  -3.6024554170   1.2361547552
C    3.4497235919   0.5991202157  -0.8417424308
C    2.7171403112   2.7979253873  -0.1774536225
C    3.6408890531   1.9704457298  -0.7961838988
H   -1.2286225173   1.3891329459  -0.2157290817
H   -0.7306122320  -0.0809015120  -0.9776435704
H   -3.3053831799  -2.3134333214   0.2036871140
H   -2.5229602262  -1.7149193274  -1.2551731735
H   -5.0637259610  -1.1634140848  -0.2435483912
H   -5.7687477192   0.3806024710   0.1776295160
H   -4.9545168830  -0.5669747353   1.4155149160
H   -4.5067447758   2.3873650338   0.4739033062
H   -2.7585720583   2.4266641882   0.5760803621
H   -3.6997923041   1.6722963150   1.8605086879
H   -3.6723610266  -0.1405266483  -2.0858620734
H   -4.4771347073   1.3735255717  -1.7351478016
H   -2.7267236012   1.3186486794  -1.8004263630
H    0.3429211997  -0.7592982718   1.2788097666
H   -0.1362819537   0.8078424771   1.8820447671
H   -1.8842983145  -1.2185015315   2.1487722590
H   -0.2976645536  -2.7823356135  -1.7592158604
H    2.1740488491  -1.0177329539  -0.2898356566
H    0.8731143285   2.8864440919   0.8888014445
H    0.6367577171  -4.0543153446   2.0791315068
H    4.1759489819  -0.0445937913  -1.3197921689
H    2.8733121344   3.8677538619  -0.1384219096
*