! 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  -4.7368657330  -0.5105166272  -0.0454480832
O    1.8219098623  -1.2535147631  -1.1584829431
N    2.9040803463  -0.4092351671  -0.8040809846
N   -0.3574666125   2.5792843029   1.0835906406
C    2.4851913874   0.1616208024   0.4815551894
C    1.8540811548  -1.0514637623   1.1782074105
C    1.1586070912  -1.7482925951   0.0095328129
C    1.4502684617   1.2477149192   0.2190095095
C    3.6443907281   0.7624413247   1.2662600187
C   -0.3208980915  -1.4497674669  -0.0661319261
C    4.1135728168  -1.2147924195  -0.7626552586
C    1.3417547961   1.9007950290  -1.0007831539
C    0.5788897184   1.6511666309   1.2262166380
C   -1.1527534285  -1.9551096483   0.9297514605
C   -0.8849866180  -0.6736892371  -1.0708174027
C    0.3649873287   2.8694393218  -1.1681372848
C   -2.5092805384  -1.6751106044   0.9448788120
C   -2.2409489108  -0.3799054757  -1.0689853296
C   -0.4682457280   3.1640204301  -0.1041565784
C   -3.0421475554  -0.8794931921  -0.0577033457
H    2.6339280864  -1.6842631796   1.6035359322
H    1.1726915358  -0.8009807647   1.9876389391
H    1.2976663382  -2.8329073384   0.0700025167
H    4.1509194820   1.5416612897   0.6955493436
H    4.3770258267   0.0117040905   1.5611000106
H    3.2644927945   1.2208570478   2.1790682911
H    4.9704177066  -0.5607295658  -0.6124415933
H    4.2453077218  -1.6914247644  -1.7324101226
H    4.1312509004  -1.9933926981   0.0073647910
H    1.9982849634   1.6441862243  -1.8198230101
H    0.6356908330   1.2015803696   2.2116942484
H   -0.7404612309  -2.5745088907   1.7177056670
H   -0.2724673228  -0.2769516197  -1.8666887783
H    0.2470375427   3.3839243355  -2.1119159823
H   -3.1389734150  -2.0721075457   1.7294355067
H   -2.6613379891   0.2354337450  -1.8527638969
H   -1.2483026601   3.9090400092  -0.2069762242
*
