! 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   3.8074518887   3.9884456848   0.5194255798
O   -0.7168866082  -0.2727739753   1.1431683198
N   -1.4174992004  -2.9760076466   0.2101291549
N   -0.3818171501  -3.1150594709   1.0437688156
N   -0.4003969751  -4.7773993412  -0.4472311822
C   -1.6461665768  -0.4993108163   0.1081324679
C   -2.7041385538   0.6480088316   0.2205525888
C   -0.9681451582  -0.5056022265  -1.2918606247
C   -2.3332935567  -1.8626435573   0.3422267660
C   -3.7434677804   0.5632384741  -0.9011499389
C   -3.4434523664   0.5925060828   1.5637334748
C   -2.0060579084   2.0109610857   0.1361419330
C    0.5470404640  -0.7375999174  -1.3262342151
C    1.3682798524   0.4341714285  -0.8577548379
C   -1.4143384321  -3.9729187862  -0.6738832634
C    1.3206107037   1.6471445833  -1.5402082324
C    2.2077079175   0.3438297632   0.2475614932
C    0.2011245341  -4.2073305364   0.6107477080
C    2.0633008705   2.7428342773  -1.1278558087
C    2.9639144773   1.4246343237   0.6757641821
C    2.8780661891   2.6227749593  -0.0139283757
H   -1.1619562974   0.4339434761  -1.8104979217
H   -1.4405661273  -1.2642959435  -1.9219298937
H   -2.7651176803  -1.9139611909   1.3411649854
H   -3.1339407493  -2.0293271364  -0.3754423194
H   -4.4463678705   1.3945510689  -0.8169777170
H   -4.3375878009  -0.3515069023  -0.8597314932
H   -3.3000507168   0.6248140807  -1.8959653658
H   -4.0842079645  -0.2853837208   1.6624354201
H   -4.0963779366   1.4623458777   1.6593344295
H   -2.7574863211   0.6059442750   2.4106901089
H   -1.5075964188   2.1753388541  -0.8196358363
H   -2.7454402427   2.8070960771   0.2467781385
H   -1.2617241730   2.1438513282   0.9203298326
H    0.8088072839  -0.9446623118  -2.3678059786
H    0.8358107059  -1.6333488290  -0.7741905317
H   -0.2520048322  -1.0966372361   1.3453718168
H   -2.1610094797  -4.0759384991  -1.4456833729
H    0.6922546196   1.7500107281  -2.4174867317
H    2.2812385364  -0.5886901587   0.7942259227
H    1.0891290791  -4.6034652392   1.0779984803
H    2.0059525698   3.6760668694  -1.6721710163
H    3.6060410991   1.3307325883   1.5413884000
*