! 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   5.2836531515   3.8508911169  -0.1925660935
O   -1.3614676011  -1.2014377142   1.6085296063
N   -1.2703926845  -2.8612072082  -0.5499569619
N   -1.7903861972  -3.7108970678   0.3402321464
N    0.0129017432  -4.6099778079  -0.6250186797
C   -1.6473310023  -0.5580426749   0.3947350714
C   -2.8295293187   0.4415943855   0.4778866374
C   -0.4794461574   0.4035276789   0.1037076396
C   -2.5561295539   1.4222070661  -0.6758764669
C   -1.0399889082   1.3581672405  -0.9492556986
C   -4.2674140270  -0.0908761682   0.4992778759
C   -1.8800917926  -1.5702573960  -0.7634984513
C    0.8588543729  -0.2391933632  -0.2570471713
C   -4.5063263550  -1.1819961870   1.5414021659
C   -5.2397388624   1.0632688258   0.7381818008
C    1.9785046984   0.7650152309  -0.2541743371
C   -0.1973084865  -3.4121331012  -1.1182869237
C    2.4031455012   1.3824212722  -1.4270158712
C    2.6004184124   1.1265857148   0.9390006415
C    3.4148177884   2.3324319810  -1.4191574373
C    3.6141659147   2.0716402455   0.9685164406
C   -0.9884075745  -4.7436723874   0.2633890082
C    4.0132629055   2.6697050279  -0.2165875363
H   -2.6726005755   0.9733041172   1.4254794658
H   -0.3353867318   0.9655514944   1.0347136226
H   -2.8788151243   2.4318121603  -0.4236702887
H   -3.1215145139   1.1309273900  -1.5651830207
H   -0.8432951993   0.9754264914  -1.9546825017
H   -0.5659746885   2.3379874854  -0.8989977511
H   -4.5062126262  -0.5071847781  -0.4868723381
H   -1.5045610218  -1.1788403358  -1.7091070048
H   -2.9432133716  -1.7543314054  -0.9144164235
H    0.8022645300  -0.6982080544  -1.2471456248
H    1.0872016613  -1.0341930624   0.4571141355
H   -1.9769593543  -1.9262547415   1.7627046124
H   -3.9888434767  -2.1161192228   1.3129281455
H   -4.2040341750  -0.8586036677   2.5398164246
H   -5.5674874455  -1.4327403220   1.5896488429
H   -5.0607811464   1.5358385750   1.7073472602
H   -6.2724232865   0.7098301173   0.7311132231
H   -5.1595568085   1.8364734256  -0.0268110694
H    0.3837626992  -2.9202324207  -1.8814282762
H    1.9440948735   1.1198675661  -2.3726285722
H    2.2967861378   0.6586341702   1.8680477378
H    3.7307626576   2.7984431110  -2.3428393271
H    4.0880623028   2.3330901219   1.9052186133
H   -1.1339020694  -5.6248628370   0.8685680994
*