! 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  -0.0543054996  -2.3649961827  -1.9989658246
Cl  -4.5598804251  -1.7522712659   0.8337069365
O    3.3029874113  -0.3920018470   0.6881547450
N    2.0312429711  -0.8348330401   0.8859105023
N    0.0247005500   3.7810039450  -0.2750523016
C    1.5537121542   0.4644115170  -1.1712890558
C    1.2200405293  -0.4427789500  -0.0141688631
C   -0.1973101748  -0.8069095121   0.2040840715
C    1.4486019823   1.8964843866  -0.7162380340
C   -0.8896755295  -1.6414109892  -0.6688904364
C   -0.8930067439  -0.2816654844   1.2891166421
C    2.5502138352   2.6213528902  -0.2781605063
C    0.2126317952   2.5351974102  -0.6918243274
C   -2.2287515854  -1.9426671038  -0.4885918284
C   -2.2326751932  -0.5649471770   1.4965764191
C   -2.8874094937  -1.3914141188   0.5988144837
C    2.3690990557   3.9258352860   0.1524846821
C    1.0903637520   4.4576676251   0.1405803567
C    4.1551694708  -0.8705076866   1.7130485658
H    2.5505217061   0.2575311139  -1.5593557884
H    0.8492582684   0.2925297628  -1.9849108398
H   -0.3775801546   0.3719322107   1.9798894333
H    3.5370100344   2.1777230960  -0.2822435683
H   -0.6706165542   2.0103947018  -1.0419252222
H   -2.7433517194  -2.5992390246  -1.1760462049
H   -2.7540920396  -0.1414747898   2.3431818679
H    3.2045223298   4.5228428524   0.4910956828
H    0.9188035946   5.4743003263   0.4734020938
H    4.2098126853  -1.9608335335   1.7203023226
H    3.8403279613  -0.5197478169   2.6977749153
H    5.1431837129  -0.4698691008   1.4958247147
*