! 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  -5.5988011190  -0.3094318462   0.5475211821
O    2.8217450612  -0.4905386810  -1.6796906340
O    0.0977145259  -0.8768607396  -0.7044818760
N    1.1207660120   1.1407224050  -0.1813425761
N    1.1751124315   2.0150179895   0.8311796601
N    0.9322905785   3.0903414921  -1.1201706972
C    3.5731788419  -1.0278878242   0.6136006386
C    2.4292824778  -0.9871075492  -0.4225081214
C    1.1314099193  -0.2930362899   0.0448883429
C    4.7373175268  -1.8063817496  -0.0082834982
C    4.0688906807   0.3582932898   1.0267360002
C    3.1017719941  -1.7872521782   1.8556950975
C    0.9664768358   1.7983707032  -1.3364297582
C   -1.2025554968  -0.6778171847  -0.3523877649
C    1.0686968508   3.1642826720   0.2188220268
C   -1.6249891325   0.0557339841   0.7492280377
C   -2.1415560868  -1.2878542243  -1.1802606708
C   -2.9828611361   0.1668986386   1.0221108261
C   -3.4916932911  -1.1777082821  -0.9062184919
C   -3.9069589310  -0.4485525013   0.1988983835
H    2.1404692376  -2.0297203815  -0.5894626370
H    0.9788299037  -0.4371683498   1.1166277443
H    5.1893628296  -1.2814798022  -0.8503959693
H    5.5218616382  -1.9585055622   0.7347785736
H    4.4212359106  -2.7917350393  -0.3585292735
H    4.9401874102   0.2556497929   1.6756830248
H    3.3205756738   0.9234878835   1.5809356624
H    4.3888645951   0.9693953508   0.1783464041
H    2.3314970271  -1.2553008346   2.4161771127
H    3.9376856687  -1.9394891384   2.5399929075
H    2.7063277443  -2.7722160928   1.5984314775
H    3.3754647744   0.2894280163  -1.5620239840
H    0.8659220800   1.3179104739  -2.2953297635
H    1.0840370289   4.0960881553   0.7614607759
H   -0.9355043481   0.5506846323   1.4180434471
H   -1.8119795106  -1.8575361237  -2.0392869076
H   -3.3028772636   0.7389173440   1.8819768434
H   -4.2110175601  -1.6593521074  -1.5539532540
*