! 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  -5.4351874109  -0.7679860248  -0.1733406973
O    3.2569559943   1.4467943469   1.0238469115
O    1.8244113240  -1.4829741070  -1.9530463919
N    2.5049053727  -0.3408900614  -0.1161499374
N    0.5015681178  -1.5826840977  -0.1191518559
N   -1.6130801210  -2.1583681877   0.1062057372
C    2.2323493946   0.4856580452   1.1014086890
C    3.8305357093   0.0023014778  -0.6884228756
C    4.3889682236   0.8201270737   0.4738146951
C    0.9000493063   1.2298935159   1.0753748158
C    2.3799287945  -0.3000206460   2.4039770016
C    4.6922834444  -1.2244540851  -0.9446186985
C    3.7250898226   0.8801045421  -1.9341169479
C    0.6470375188   2.1019229571  -0.1457021815
C    1.6650784281  -1.1239906352  -0.8048151774
C   -0.6600016591   2.8969612412  -0.0422821788
C   -1.8825541145   2.0239347956  -0.0651061973
C    0.4405311200  -2.4199477154   0.9710663112
C   -0.7658486327  -1.4860709656  -0.6126625763
C   -2.4396246633   1.6190268331  -1.2757852405
C   -2.4638755294   1.5565618009   1.1105598668
C   -0.8722087634  -2.7543156924   1.0911654659
C   -3.5331049780   0.7675173068  -1.3199997830
C   -3.5527580391   0.6987897501   1.0875865595
C   -4.0764816601   0.3072247693  -0.1321573970
H    4.8958838478   0.1811060291   1.2086483482
H    5.0949381383   1.5839158497   0.1478237832
H    0.8900876249   1.8596248585   1.9711845044
H    0.0873458674   0.5171008613   1.2186872820
H    1.4798658642  -0.8576632313   2.6491641904
H    2.5515154400   0.4027996386   3.2202564908
H    3.2155952876  -0.9995614590   2.3787331908
H    4.6973066361  -1.8940434166  -0.0832566297
H    5.7218116268  -0.9087296749  -1.1236729261
H    4.3677610269  -1.7874940872  -1.8173083853
H    3.1730849445   1.7989446007  -1.7340829476
H    4.7275426645   1.1629788052  -2.2598686810
H    3.2436602110   0.3647006243  -2.7614211981
H    1.4673651046   2.8115562957  -0.2678378388
H    0.6200641038   1.5025823067  -1.0604710293
H   -0.7017131814   3.6024781786  -0.8750703327
H   -0.6453049003   3.4965845278   0.8719977614
H    1.3145254377  -2.7358511990   1.5129963097
H   -0.9983574462  -0.8891816361  -1.4803577402
H   -2.0153161276   1.9735244666  -2.2081729896
H   -2.0621220663   1.8632627737   2.0691466156
H   -1.3197862787  -3.4024508319   1.8286341409
H   -3.9512244475   0.4665835057  -2.2713562116
H   -3.9829797802   0.3413093516   2.0134305251
*