! 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   5.4958145277   2.6426725228  -1.3246939390
O   -2.5325560840   0.5217333365   1.8075102015
N   -0.8704597242  -2.5974898348   0.7450764216
N    0.4623295794  -2.5735708623   0.6675528053
N   -0.3549021948  -4.2573756074  -0.5573940351
C   -1.8907342442  -0.2893173045   0.8471761061
C   -2.8029631185  -0.4140976627  -0.3858987149
C   -0.6518793125   0.4132987936   0.2642541049
C   -2.5166186245   0.8481624583  -1.2316540401
C   -1.2660145776   1.4982927898  -0.6171159762
C   -4.2833084091  -0.7533120635  -0.1312361383
C   -1.6021263911  -1.6359210816   1.5356575038
C    0.3544312865   0.9211213594   1.2967474336
C   -5.1743438728   0.4260580913   0.2520984147
C   -4.8725614592  -1.4516502344  -1.3555758754
C    1.6386741070   1.3680816971   0.6569689438
C   -1.3423403429  -3.6089115660   0.0114926456
C    2.5958776644   0.4273571656   0.2810629649
C    1.8981810182   2.7099507800   0.3975656471
C    3.7807566196   0.8077486104  -0.3284420698
C    3.0782407034   3.1114663057  -0.2136009797
C    0.7267124477  -3.5815049426  -0.1243474907
C    4.0124272148   2.1533189878  -0.5701381786
H   -2.3920957817  -1.2601967955  -0.9484028452
H   -0.1389861427  -0.3053387015  -0.3837573565
H   -3.3531514099   1.5464262536  -1.2331880194
H   -2.3445559978   0.5738575343  -2.2732022185
H   -0.5685703906   1.8662511450  -1.3704483948
H   -1.5490419256   2.3563480680  -0.0020584584
H   -4.3203062053  -1.4722504581   0.6962871468
H   -2.5432976377  -2.1003869214   1.8331471823
H   -1.0310595372  -1.4742477175   2.4514724574
H    0.5837684777   0.1286351709   2.0147486668
H   -0.0748447024   1.7510925885   1.8646502113
H   -1.9501609929   0.6385583216   2.5669775797
H   -6.1642250116   0.0656935956   0.5398929291
H   -4.7784368209   1.0002904543   1.0863713382
H   -5.3228391082   1.1113074121  -0.5849946211
H   -4.3339134343  -2.3698560584  -1.6005196441
H   -4.8382560790  -0.8070731858  -2.2376511096
H   -5.9180479178  -1.7215152664  -1.1920319174
H   -2.3937396446  -3.8382625464  -0.0703437024
H    2.4114777611  -0.6236220905   0.4712965588
H    1.1727298353   3.4637118822   0.6794860360
H    4.5144513652   0.0630688070  -0.6071611597
H    3.2637235748   4.1600794846  -0.4040779866
H    1.7381369165  -3.8434226571  -0.3943539781
*