! 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   6.8355870910  -0.1200156977  -0.1022710338
O   -1.5397152698  -0.0368849216  -1.6116411504
N   -3.3431491221   1.4026186405   0.2236754232
N   -3.8722107552   1.5843740057  -0.9924060172
N   -5.4931375264   1.4485666045   0.5467053101
C   -1.3675026409  -0.0487517693  -0.2108293768
C   -1.9651000932  -1.3023035051   0.5368399652
C    0.1508234203  -0.1371493164   0.0536873925
C   -0.7735605547  -1.9015122582   1.3119812949
C    0.2516581366  -0.7847150618   1.4231795710
C   -2.6939393438  -2.3459159984  -0.3237477824
C   -1.9151865757   1.2527005616   0.3971506582
C    0.9498152888   1.1530619899  -0.1338321737
C   -2.9699714198  -3.6092821361   0.4933087686
C   -4.0251646298  -1.8478291659  -0.8802642504
C    2.4267535245   0.8777043748  -0.1294364128
C   -4.3193481121   1.3146310685   1.1230548261
C    3.0530442113   0.3672325421  -1.2644735940
C    3.1972461508   1.0761317562   1.0119610803
C    4.4044276503   0.0592842247  -1.2671993821
C    4.5518651723   0.7740300024   1.0309634839
C   -5.1588303137   1.5992162644  -0.7449407623
C    5.1436536384   0.2646539745  -0.1126044229
H   -2.6938370684  -0.9506156367   1.2779746723
H    0.5254304119  -0.8679518964  -0.6750777021
H   -0.3305935879  -2.7220240845   0.7397797424
H   -1.0726610771  -2.3111873039   2.2768012778
H   -0.0126995245  -0.0749072398   2.2139102154
H    1.2543365325  -1.1524419174   1.6444075635
H   -2.0434148630  -2.6237124715  -1.1603642634
H   -1.4417095255   2.1222445754  -0.0585376742
H   -1.7162517630   1.2921341386   1.4673464783
H    0.7151478503   1.8667553542   0.6594719973
H    0.6709939375   1.6224245447  -1.0811387255
H   -2.3898321192   0.3680948134  -1.8321548531
H   -3.5129904669  -4.3410786317  -0.1072456684
H   -2.0601987441  -4.0963629084   0.8428435407
H   -3.5849943759  -3.3852619038   1.3686722568
H   -4.6828119033  -1.5126892022  -0.0740809623
H   -4.5442400976  -2.6530797666  -1.4038509224
H   -3.9274718326  -1.0310320493  -1.5907251339
H   -4.1346869979   1.1799866949   2.1767215450
H    2.4792106968   0.2061736821  -2.1692768170
H    2.7378792479   1.4738044534   1.9086111400
H    4.8711283097  -0.3341501878  -2.1597812014
H    5.1326445817   0.9362684518   1.9285930019
H   -5.8818486859   1.7332387653  -1.5336877586
*