! 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   5.3387591985   2.4218115998  -1.3234187645
O   -2.7947417998   0.8790993941   1.6828656888
N   -1.4753514050  -2.4325097759   0.6964994093
N   -0.1693086005  -2.4611801285   0.4210944035
N   -1.1539015699  -4.3330831811  -0.3065709243
C   -2.2609159854   0.0164245729   0.6921819838
C   -3.3365572243  -0.0165652061  -0.4469769641
C   -0.9166973297   0.5543478644   0.1751718759
C   -2.0799302252  -1.3397427827   1.4253799892
C   -2.8013721336  -0.6621122161  -1.7296100182
C   -4.5924945590  -0.7774787496  -0.0071286190
C   -3.7754364116   1.4121787008  -0.8013154818
C    0.1269201448   0.8554757487   1.2556979555
C    1.4356913351   1.2567443313   0.6356653081
C   -2.0464884482  -3.5594843680   0.2637847854
C    2.3080518076   0.2867877195   0.1452070450
C    1.7948094540   2.5937200391   0.4991533130
C   -0.0224147007  -3.6139131143  -0.1814531527
C    3.5067604091   0.6340771468  -0.4572362746
C    2.9906328441   2.9622971242  -0.1018757752
C    3.8386108434   1.9752467235  -0.5750855929
H   -1.0911769571   1.4720470585  -0.3914994364
H   -0.4857075774  -0.1581843854  -0.5280941629
H   -1.4652440414  -1.1795725803   2.3132101482
H   -3.0442419758  -1.6904702280   1.7882686603
H   -2.4622599883  -1.6881648255  -1.5913978248
H   -1.9793697223  -0.0967040195  -2.1694582086
H   -3.5968020704  -0.6948577843  -2.4772826081
H   -4.4337233867  -1.8537367458   0.0774491074
H   -5.3825489105  -0.6443107947  -0.7492812202
H   -4.9839785148  -0.4191715334   0.9462434578
H   -4.4598456350   1.3769982232  -1.6514204466
H   -4.3034442941   1.9030025687   0.0148660188
H   -2.9440814328   2.0542250813  -1.0958938777
H    0.2927680255  -0.0213955120   1.8851371555
H   -0.2169718236   1.6604057384   1.9101167813
H   -2.1855618997   0.9339792518   2.4271415654
H   -3.0967182511  -3.7726671750   0.3873464882
H    2.0447644930  -0.7606124017   0.2359583014
H    1.1356624732   3.3694718594   0.8703233380
H    0.9377062788  -3.9479985082  -0.5435556824
H    4.1730976974  -0.1337238657  -0.8271433452
H    3.2535842703   4.0074473231  -0.1949018184
*