! 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 "WATER"
end
*xyz 0 1
Cl  -4.5246780646  -1.1987492086   0.4570980074
O    3.3491755615   1.6111385496   0.4412488951
O    0.0488992425  -0.5971499731   1.5706557538
N    1.8186053071  -0.0289855614   0.2629961864
N    0.3512226781  -1.7618183859  -0.3471785031
N   -0.2628775986  -3.7746015490  -0.9968946006
C    2.2015542119   1.1400416248   1.1065024739
C    2.9416664664  -0.4116560710  -0.6385777244
C    4.0356746121   0.4802549618  -0.0398098475
C    1.1496014694   2.2408913596   1.0964490612
C    2.5540982671   0.7334160284   2.5367206574
C    3.3496224055  -1.8742685837  -0.5276240636
C    2.7216525748  -0.0198534348  -2.0962251941
C    0.7650281448   2.7695709823  -0.2818631017
C    0.7286151309  -0.7413388137   0.5762381023
C   -0.6546867619   3.3490210991  -0.3073529808
C   -1.6850431198   2.2705720281  -0.1235854927
C   -0.0772828205  -1.6342564362  -1.6454067035
C    0.1973307520  -3.0673674363  -0.0053206211
C   -1.9625456172   1.3867453607  -1.1646765307
C   -2.3263569980   2.0677029613   1.0943347561
C   -0.4503180920  -2.8856016331  -2.0231338835
C   -2.8341847250   0.3225871503  -0.9988480730
C   -3.2017562856   1.0074791125   1.2824920228
C   -3.4414577384   0.1383102829   0.2326477331
H    4.5767665984  -0.0366900433   0.7615067530
H    4.7623492654   0.7957928382  -0.7870789084
H    1.5282739324   3.0597914655   1.7139363966
H    0.2724578354   1.8622805913   1.6202180278
H    3.2454943066  -0.1091433700   2.5705867027
H    1.6721710138   0.4622161698   3.1100814132
H    3.0289318284   1.5787086149   3.0359870622
H    2.7080798205  -2.5405291439  -1.1016905815
H    3.3701421242  -2.2119754761   0.5092540297
H    4.3580563541  -1.9867177456  -0.9292930981
H    1.9654397800  -0.6294432693  -2.5833907832
H    2.4441861675   1.0287195056  -2.2024328808
H    3.6516156364  -0.1724002898  -2.6454127355
H    1.4714179915   3.5359845641  -0.6043599491
H    0.8166010413   1.9732049743  -1.0283485353
H   -0.8127417294   3.8525116302  -1.2636524795
H   -0.7618490546   4.1101653864   0.4693397930
H   -0.1253109621  -0.6893892247  -2.1563429067
H    0.4652028890  -3.4398544985   0.9709320007
H   -1.4865805230   1.5256986923  -2.1288653609
H   -2.1394011259   2.7427947572   1.9207162428
H   -0.8517304244  -3.1891865735  -2.9765639008
H   -3.0276155529  -0.3570162336  -1.8176617687
H   -3.6841494796   0.8639045552   2.2398946268
*