! 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   5.0397861520   0.5449550973  -0.5947261099
O   -1.5349200725   0.4622496543   1.4794116687
N   -0.6426178526  -1.8961955601  -0.0136885917
N   -0.3631929004  -2.0308713618   1.2847307678
N   -0.3119188451  -4.0207787276   0.2783661818
C   -1.8644322135   0.3385733499   0.1141293974
C   -3.3607314935  -0.1271499070  -0.0228345796
C   -1.6609691264   1.7283307108  -0.5423777882
C   -0.8604467997  -0.5942758935  -0.6092441769
C   -4.2836142936   0.8387597158   0.7335320423
C   -3.8012923718  -0.1693802900  -1.4884898310
C   -3.5936712893  -1.5148973592   0.5888799778
C   -0.5761480844   2.6263918583   0.0706956945
C    0.8378309801   2.1334468656  -0.0676563918
C   -0.6023342127  -3.0902605241  -0.6023233935
C    1.5057154846   2.2570813971  -1.2850977261
C    1.5085949350   1.5186356047   0.9866398689
C   -0.1785198239  -3.3220643707   1.4179748924
C    2.7936615246   1.7743020246  -1.4580869979
C    2.7986353403   1.0313675863   0.8348891777
C    3.4299514514   1.1587048580  -0.3914432942
H   -2.5863476552   2.3019177766  -0.4960985769
H   -1.4584277145   1.5990733148  -1.6096077854
H   -1.1742188849  -0.7636208588  -1.6371440167
H    0.1086525728  -0.1008430045  -0.6590958781
H   -5.3111681874   0.4737850675   0.6867260999
H   -4.2959566414   1.8460729359   0.3157798793
H   -4.0164719661   0.9189043025   1.7869924829
H   -4.8555192071  -0.4473758777  -1.5533705296
H   -3.2506021016  -0.9083637315  -2.0743774406
H   -3.6976413048   0.7948490196  -1.9890809481
H   -3.1179013926  -2.3205397968   0.0313970106
H   -3.2627897453  -1.5740635814   1.6267008815
H   -4.6628349817  -1.7370509470   0.5869886033
H   -0.8041313659   2.8143096538   1.1191939475
H   -0.6548831363   3.5925180910  -0.4340917917
H   -1.1685695616  -0.3753586197   1.8034275063
H   -0.7912470064  -3.2337924112  -1.6548219337
H    1.0119914486   2.7375485313  -2.1222494901
H    1.0158841088   1.4048610892   1.9431367543
H    0.0618685740  -3.7694706375   2.3698352474
H    3.2930666457   1.8801391711  -2.4120806625
H    3.3006726218   0.5534164483   1.6656035245
*