! 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   5.1379764410   0.5496979979   1.0511623550
O   -1.2490208586   0.0372929596   1.0640490044
N   -0.2228565343  -2.0375254312  -0.6198123491
N    0.5788844806  -1.9821736374  -1.6877682678
N    1.7302061341  -2.6573609606   0.1150117606
C   -1.8162749977  -0.1595876359  -0.2112019971
C   -3.3542160324   0.1042586786  -0.1309812522
C   -1.2676826354   0.8349066593  -1.2896317144
C   -3.5627121970   1.4227331119  -0.8764008430
C   -2.5288362956   1.3543252665  -1.9861076962
C   -3.9956891676   0.0472873089   1.2610429257
C   -1.6064001675  -1.6176789989  -0.6566973714
C   -0.4393191659   1.9982337049  -0.7236332745
C   -5.4660418592   0.4538682382   1.1794473548
C   -3.8989807460  -1.3335881438   1.9050466825
C    0.9470351514   1.6268040387  -0.2626843308
C    0.4801333587  -2.4337471013   0.4433056706
C    1.8682146370   1.0897676507  -1.1611836652
C    1.3610840025   1.8293535399   1.0524171768
C    3.1540718571   0.7594320064  -0.7684092160
C    2.6454268499   1.5018919697   1.4668081986
C    1.7316480862  -2.3568597971  -1.1953517172
C    3.5312599086   0.9658687148   0.5490520496
H   -3.8408777328  -0.6751539116  -0.7352353768
H   -0.6389470354   0.3034511452  -2.0079943625
H   -3.3734257957   2.2765899110  -0.2174713377
H   -4.5790336232   1.5299445853  -1.2559094787
H   -2.8591016182   0.6421533073  -2.7477071098
H   -2.3621046213   2.3064236879  -2.4928740125
H   -3.4898849554   0.7699841940   1.9085199770
H   -1.9697283646  -1.7619311898  -1.6732395610
H   -2.1704090526  -2.2921955974  -0.0123893251
H   -0.9725793231   2.5069649292   0.0817142433
H   -0.3351659756   2.7337398363  -1.5260307126
H   -0.2877668873   0.0335749205   0.9979110742
H   -5.9401012241   0.3797944649   2.1599825053
H   -5.5974024624   1.4800408422   0.8356288935
H   -6.0201551828  -0.1976753051   0.4986640896
H   -2.8718624896  -1.6479797297   2.0836225949
H   -4.3789558574  -2.0914747665   1.2803125358
H   -4.4089632970  -1.3423730481   2.8704067505
H    0.0412783154  -2.5786136247   1.4179785897
H    1.5853341365   0.9289973283  -2.1937371805
H    0.6749314117   2.2575384579   1.7730722365
H    3.8508554002   0.3437017290  -1.4831853785
H    2.9441185540   1.6670465856   2.4929295465
H    2.6118502707  -2.4262819868  -1.8146393095
*