! 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   6.7471464476  -0.2884192154   0.0626960886
O   -1.6641374301  -0.1670431787  -1.5272291054
N   -3.4219427820   1.5175037272   0.1319351895
N   -4.0087916600   1.3144160027  -1.0510296586
N   -5.5386279922   1.8391540343   0.4872217955
C   -1.4744725370  -0.0054610039  -0.1433058853
C   -2.1029956067  -1.1026727810   0.7767335044
C    0.0350467504  -0.1078680089   0.1425708559
C   -1.0554020017  -1.3342031513   1.8946230494
C    0.1074907125  -0.3723444228   1.6386019673
C   -2.5463579548  -2.4288732861   0.1284718665
C   -1.9881237098   1.3850871584   0.2820537292
C    0.8901282910   1.0570225750  -0.3574790772
C   -3.8307165046  -2.3068358253  -0.6872266856
C   -1.4697655159  -3.1651242473  -0.6642895854
C    2.3578737178   0.7491188593  -0.2604138086
C   -4.3463903476   1.8275133750   1.0397392761
C    2.9769737654  -0.0560185230  -1.2143881703
C    3.1299042674   1.2245127780   0.7952832091
C    4.3216076544  -0.3801809859  -1.1244856767
C    4.4775191056   0.9111739441   0.9047329447
C   -5.2776028754   1.5155233636  -0.7906315379
C    5.0628887800   0.1080359551  -0.0596422833
H   -3.0098347134  -0.6984604009   1.2382063010
H    0.3696662274  -1.0144295273  -0.3772491093
H   -0.6919450824  -2.3633678442   1.8604957580
H   -1.4891299369  -1.1991973571   2.8861682085
H   -0.0147903861   0.5596922689   2.1989960756
H    1.0676259192  -0.7907207219   1.9425907049
H   -2.7948025782  -3.0679763670   0.9855450995
H   -1.5176813008   2.1657589155  -0.3176854294
H   -1.7623327305   1.5892742451   1.3278504033
H    0.6778344334   1.9607592742   0.2195505050
H    0.6333923277   1.2758370697  -1.3975461712
H   -2.5484914906   0.1489348211  -1.7657453212
H   -4.2193119697  -3.2972089082  -0.9350884723
H   -4.6120350297  -1.7860969283  -0.1294478371
H   -3.6839510753  -1.7789728297  -1.6286421475
H   -0.5466597086  -3.2933572094  -0.0959826538
H   -1.2221712262  -2.6521535561  -1.5922930910
H   -1.8168466777  -4.1671109961  -0.9261343675
H   -4.1092198073   2.0362147182   2.0711775112
H    2.4037228751  -0.4370664350  -2.0515592166
H    2.6787354187   1.8560373118   1.5513327655
H    4.7832824084  -1.0030386606  -1.8789483468
H    5.0590970410   1.2929897388   1.7331420656
H   -6.0367450982   1.4254301814  -1.5519078206
*