! 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   0.6441477913  -1.3163222102   2.4457673517
Cl   4.2875517321  -1.5423596330  -1.4312655752
O   -2.0326117460   0.3818365646  -0.7696354321
O   -1.9487927688  -0.9278397191   1.0400171886
N   -0.3140918960   2.3147724900   0.7474533010
N   -0.6668047926   3.0984784062  -0.2749628945
N    1.4967994691   3.4058128790   0.2413396990
C   -1.2605706374   0.0749343463   0.3575934549
C   -2.9991008893  -0.6511579768  -0.9867701550
C   -2.5910687980  -1.7014289956   0.0407053177
C   -1.1860610491   1.3021148019   1.2784052801
C    0.1352707540  -0.3775632618  -0.0758062506
C   -4.4005697492  -0.0956731214  -0.7928928102
C   -5.4771195336  -1.0892380648  -1.2017609420
C    1.0373315557  -0.9965021579   0.7884059642
C    0.5758181277  -0.1150071083  -1.3696539632
C    2.3110315577  -1.3630283627   0.3811055466
C    1.8436496433  -0.4638226309  -1.8026936105
C    0.9768389746   2.4998785049   1.0299626943
C    2.7007838090  -1.0927582339  -0.9185923469
C    0.4461629145   3.7332376213  -0.5340922544
H   -2.8859995886  -1.0306207644  -2.0066140635
H   -3.4300868071  -2.2264428497   0.4952444734
H   -1.9079044359  -2.4440318297  -0.3847458605
H   -0.8052488714   1.0166155311   2.2567747704
H   -2.1840502637   1.7153699226   1.4171888312
H   -4.5013376614   0.8124653728  -1.3920634317
H   -4.5358453005   0.1986986723   0.2522277974
H   -5.3805696757  -1.3704322470  -2.2517150685
H   -5.4388524043  -2.0055180877  -0.6104053122
H   -6.4694908771  -0.6603521038  -1.0663938211
H   -0.0871215450   0.3762314172  -2.0663799663
H    2.9868293352  -1.8466827048   1.0723725530
H    2.1507317774  -0.2454717117  -2.8156701091
H    1.4848260840   1.9758919022   1.8247407121
H    0.5013663131   4.4730415365  -1.3171291355
*
