! 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  -4.1185889810   1.5869904223  -2.8792591755
O    1.8372392436   1.4576775863  -0.2119615766
O    1.5750823576  -1.6700414866   2.4681954642
N    1.6460327821  -0.6888063544   0.4216889167
N    1.6117311241  -3.0242592669   0.6479338498
N    2.4007211371  -4.8865758040  -0.2188314995
C    1.7565334418   0.6975185208   0.9665896475
C    1.3005665382  -0.6479066506  -1.0264476797
C    0.9912184908   0.8489926546  -1.1516227894
C    0.4953899729   1.0642071614   1.7671088499
C    3.0386117198   0.9258556003   1.7422368769
C    2.4854057905  -0.9957075750  -1.9215169153
C    0.0659899748  -1.4546954942  -1.4021754165
C    0.3134860302   2.5637785798   2.0002382758
C    1.6041196967  -1.7309531751   1.2569782645
C   -1.1623356893   2.9410628438   2.1908424399
C   -1.9698111586   2.6458473587   0.9569889060
C    0.6353111124  -3.9748820897   0.8183173073
C    2.6607605935  -3.6376390916   0.0372641415
C   -2.8207555763   1.5462383750   0.8915395849
C   -1.8159640432   3.4225639522  -0.1902635164
C    1.1349591211  -5.1066657881   0.2533673335
C   -3.4869140688   1.2129641928  -0.2798626849
C   -2.4753275198   3.1104352518  -1.3686464281
C   -3.3027507855   1.9984096119  -1.4047354184
H    1.2218202968   1.2367829306  -2.1436795353
H   -0.0671936615   1.0575111181  -0.9458180856
H    0.5122746054   0.5448222471   2.7241650191
H   -0.3730216878   0.6691604191   1.2341183193
H    3.9071833508   0.6043146358   1.1666127549
H    3.0357666015   0.3976300485   2.6922999741
H    3.1527660713   1.9890449008   1.9581309703
H    2.2355043035  -0.7677872690  -2.9586678451
H    2.7388694337  -2.0527475255  -1.8860419139
H    3.3731710414  -0.4203103729  -1.6568141762
H   -0.2928029713  -1.1094740207  -2.3739205243
H    0.2597081806  -2.5210938858  -1.5000437310
H   -0.7453749933  -1.3102023259  -0.6866710915
H    0.8753673882   2.8824276097   2.8813873206
H    0.7079818158   3.1388281644   1.1602329632
H   -1.2253482610   4.0048202078   2.4325498135
H   -1.5778401731   2.4014459375   3.0455593471
H   -0.3091389123  -3.7552610093   1.2873284453
H    3.5913883470  -3.1281347742  -0.1567424016
H   -2.9637547029   0.9249837460   1.7677227297
H   -1.1641437649   4.2883057671  -0.1720750505
H    0.6508807648  -6.0662789574   0.1610523149
H   -4.1365212881   0.3484398008  -0.3094019591
H   -2.3400134191   3.7254187374  -2.2483286920
*