! 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  -4.4948026694  -1.2389382123   0.3189716093
O    3.3545224718   1.5955645217   0.4356049010
O    0.1212049249  -0.6619722370   1.6438486198
N    1.8321854161  -0.0461668184   0.2762825431
N    0.3188518078  -1.7343942415  -0.3384370964
N   -0.6521292902  -2.5545240438  -2.1369506519
C    2.2200206431   1.1242280132   1.1154212438
C    2.9729209775  -0.4618403036  -0.5888765491
C    4.0551214151   0.4631369574  -0.0115851549
C    1.1582642558   2.2161967421   1.1180526081
C    2.5876667167   0.7308779114   2.5475545717
C    3.3746021762  -1.9185638265  -0.4027797212
C    2.7848926903  -0.1393858449  -2.0688644099
C    0.7781643839   2.7815937617  -0.2467133166
C    0.7530295463  -0.7723453973   0.6165788260
C   -0.6460588356   3.3552396320  -0.2597599095
C   -1.6764608891   2.2696177720  -0.1182762422
C   -0.0486949253  -3.0227289182  -0.0297216583
C   -0.0941470548  -1.5033573629  -1.6156964640
C   -2.0025703756   1.4686320846  -1.2109699542
C   -2.2695105394   1.9755957115   1.1060285020
C   -0.6192979701  -3.5146827701  -1.1599014022
C   -2.8706898171   0.3954381321  -1.0896629105
C   -3.1366085859   0.9023766476   1.2505984400
C   -3.4235648911   0.1147475382   0.1494714332
H    4.6015413540  -0.0252865591   0.8045458026
H    4.7825477997   0.7678832992  -0.7633523787
H    1.5182676081   3.0230639070   1.7628037603
H    0.2810669908   1.8116591159   1.6224711264
H    1.7083456379   0.4930895171   3.1395738103
H    3.0938508285   1.5713567938   3.0246227485
H    3.2553947643  -0.1304577750   2.5892026654
H    3.4242235850  -2.1946099777   0.6516560656
H    4.3678943056  -2.0716315787  -0.8288634047
H    2.7046583072  -2.6118547796  -0.9091809788
H    2.4455601213   0.8849846397  -2.2247108749
H    3.7417544080  -0.2506029806  -2.5811916230
H    2.0907634632  -0.8144602846  -2.5631506829
H    1.4807411328   3.5635205171  -0.5407028320
H    0.8407367471   2.0093872342  -1.0176177400
H   -0.8027195041   3.8929316650  -1.1978126729
H   -0.7574207868   4.0898525603   0.5421846897
H    0.1500201935  -3.4653530613   0.9316334193
H    0.0023479273  -0.5393785473  -2.0866713460
H   -1.5696760382   1.6827389735  -2.1817280552
H   -2.0494320570   2.5873006991   1.9728771299
H   -1.0074958125  -4.5074799630  -1.3252365912
H   -3.1049340061  -0.2176573256  -1.9493079788
H   -3.5763283338   0.6842304921   2.2146644999
*