! 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  -0.0870864948  -1.2897098215   2.1049733713
Cl   1.3460243750  -5.3139801463  -1.0766555136
O   -0.7995638395   0.8691567412   0.2786936214
O    0.3770444365   1.2515031921  -1.5982683472
N    1.4018594950   2.6277865476   0.6444266618
N    0.7659656205   3.0925585224   1.7233364392
N    1.1798527543   4.7590749727   0.2773754570
C    0.4190603250   0.6141907066  -0.3513376095
C   -1.6076398798   1.7047345671  -0.5434460396
C   -0.9815155795   1.5067458375  -1.9110323252
C   -3.0600685730   1.2955248135  -0.4539478818
C    1.5977223060   1.2202426563   0.4242029432
C    0.6284278012  -0.8884107501  -0.5057392573
C   -3.6557649211   1.4316082708   0.9414541152
C    0.4247274558  -1.7972789533   0.5318572353
C    1.0811462273  -1.3973270154  -1.7188564350
C   -5.1317411899   1.0661569840   0.9699665340
C    0.6400016672  -3.1571195325   0.3641036353
C    1.3058167676  -2.7498329019  -1.9136290090
C    1.6268351485   3.6283254306  -0.2100761439
C    1.0768927034  -3.6209115933  -0.8640860376
C    0.6605514304   4.3673320938   1.4572877278
H   -1.4996846468   2.7496061290  -0.2206705735
H   -1.4300080952   0.6599058343  -2.4439358904
H   -1.0370105032   2.3895611948  -2.5458180836
H   -3.1683187928   0.2653066904  -0.8078423245
H   -3.6213062000   1.9251423406  -1.1519662984
H    2.5176911813   1.0745985126  -0.1416463718
H    1.7259370651   0.7373501092   1.3898371659
H   -3.5252296172   2.4586325188   1.2950947127
H   -3.1068770934   0.7930498828   1.6376158679
H    1.2646046079  -0.7236289480  -2.5434447347
H   -5.7129173243   1.7075842756   0.3047093896
H   -5.2906507308   0.0341597364   0.6513062939
H   -5.5493777534   1.1676473279   1.9721816062
H    0.4696034411  -3.8407700788   1.1839960094
H    1.6545053343  -3.1106852624  -2.8708657759
H    2.1357974345   3.4963869115  -1.1510287316
H    0.1973991383   5.0507502300   2.1515333975
*