! 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  -5.6680680940  -0.0985780435   0.2525775992
O    1.9681164245  -2.3798477109  -0.8089395695
O    0.0494157379  -0.5939241823  -0.9223066119
N    1.2323409446   1.1014285518   0.1281764217
N    1.1737191717   1.7044415983   1.3191672935
N    1.5132206777   3.2057669001  -0.3048011912
C    3.6047025638  -0.9476661057   0.3267373829
C    2.3272983101  -1.0471318943  -0.5483727595
C    1.0713971456  -0.3313302644  -0.0044097653
C    4.6564103290  -1.8759119591  -0.2950262946
C    4.1924656431   0.4672997717   0.3291711118
C    3.3430353877  -1.3836554825   1.7706658173
C    1.4331134238   2.0101471768  -0.8333290454
C   -1.2521027332  -0.4432830349  -0.5678238120
C    1.3508603005   2.9637473834   1.0122984524
C   -1.6945504460   0.0611180933   0.6494029717
C   -2.1787286519  -0.8366177229  -1.5307856165
C   -3.0578243856   0.1627137673   0.8978682699
C   -3.5340685231  -0.7329335684  -1.2822907239
C   -3.9691994567  -0.2321789672  -0.0632913578
H    2.5633894010  -0.6102105509  -1.5262648359
H    0.8241984402  -0.7057965860   0.9941412115
H    4.8299355363  -1.6394050599  -1.3475563571
H    5.6081107271  -1.7568510576   0.2254257234
H    4.3845417018  -2.9292644274  -0.2326229361
H    5.1943658179   0.4428170800   0.7624101100
H    3.6210171205   1.1732755456   0.9292190554
H    4.2913030265   0.8715765612  -0.6805358058
H    4.2801865570  -1.4080001394   2.3298597722
H    2.9160805478  -2.3878342063   1.8428184162
H    2.6776094550  -0.6992793408   2.3007780591
H    1.8822579990  -2.8609012639   0.0216887963
H    1.5071818248   1.7655896632  -1.8814997804
H    1.3587985925   3.7379760298   1.7634384867
H   -1.0148729433   0.3931781529   1.4219104813
H   -1.8322494744  -1.2308351368  -2.4776015026
H   -3.3935567128   0.5585767678   1.8467053168
H   -4.2433011204  -1.0447272920  -2.0370288200
*