! 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   0.4074809905  -1.3939827421   2.2979179735
Cl   1.7128326084  -5.3641558872  -1.0051445884
O   -0.8563224099   0.6079927487   0.5601285297
O   -0.0204788481   1.0460072183  -1.4823619052
N    1.2022252131   2.5945744068   0.5272018036
N    0.6635289575   3.0492423415   1.6625568877
N    0.7382948730   4.6795004624   0.1201785454
C    0.2764275791   0.4573066502  -0.2458390074
C   -1.8138843132   1.4240043417  -0.1081668482
C   -1.4233880685   1.2351987600  -1.5613629897
C   -3.2153706700   0.9705807661   0.2397461937
C    1.4939055886   1.2002955436   0.3256938954
C    0.6118129901  -1.0214315714  -0.4051552468
C   -4.2978813958   1.8120110170  -0.4331280643
C    0.6938488542  -1.9060555352   0.6692943342
C    0.8986398401  -1.5273278160  -1.6690410444
C   -4.3119212020   3.2714072283   0.0010357783
C    1.0271466303  -3.2407599049   0.4941044674
C    1.2358658387  -2.8548336079  -1.8730668638
C    1.2250339837   3.5714492585  -0.3813575272
C    1.2934545760  -3.7031423106  -0.7824291465
C    0.4072141918   4.2964914659   1.3683443557
H   -1.6710793067   2.4698266974   0.1933705925
H   -1.9159046484   0.3597865284  -2.0017692938
H   -1.6210736836   2.1028389439  -2.1889277853
H   -3.3471490279   1.0157038465   1.3243128174
H   -3.3296534295  -0.0768620016  -0.0526847700
H    2.3299919638   1.1127572233  -0.3680890952
H    1.8081963361   0.7747371151   1.2757549687
H   -5.2654546058   1.3628496366  -0.2000422942
H   -4.1990814939   1.7518001516  -1.5211126960
H    0.8605414834  -0.8727101244  -2.5275240469
H   -5.1686621464   3.7952310685  -0.4237866907
H   -4.3784481429   3.3594309128   1.0870749640
H   -3.4193108790   3.8114623553  -0.3182016749
H    1.0788428310  -3.9057746071   1.3447034273
H    1.4495699853  -3.2128990856  -2.8700632704
H    1.6226992939   3.4409035501  -1.3746681737
H   -0.0298239905   4.9665143558   2.0920029641
*