! 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   0.6959343050  -1.5689181484  -1.9221636124
Cl   5.2835340358  -0.9816706050   0.7699618168
O   -0.9353997670   1.4776762738   0.8142700905
N   -2.8147236426  -0.6683480729   0.4302536493
N   -4.6460848358  -0.6680903732  -0.8021685935
C   -0.5793234276   0.2936647329   0.1532321242
C   -1.4151410740  -0.8389997500   0.7432826158
C    0.8963110454  -0.0109432480   0.2937826131
C    1.5571845739  -0.8563662639  -0.5927302765
C    1.6411262488   0.5233252702   1.3390954201
C   -3.7210025883   0.1193815033   1.0842674007
C   -3.4143834676  -1.0958417437  -0.7025611439
C   -0.9044282315   2.6398254350  -0.0010252608
C    2.9013222547  -1.1643209791  -0.4639402622
C    2.9868498314   0.2349438241   1.4981862957
C    3.6045194094  -0.6089112240   0.5912462650
C   -4.8462609153   0.0955584008   0.3156345377
C   -2.1580358083   2.7861392186  -0.8051851421
C   -2.8694803787   3.9037306604  -0.8667702063
H   -0.8190006518   0.3615713150  -0.9164574655
H   -1.0904783464  -1.8000280037   0.3456426079
H   -1.2878859274  -0.8790364406   1.8251217558
H    1.1687632123   1.1868665207   2.0496670853
H   -3.4994646888   0.6036828312   2.0193074218
H   -2.9070036159  -1.7345263870  -1.4094842219
H   -0.7803926163   3.4940671069   0.6673249560
H   -0.0268258964   2.6201801290  -0.6605694259
H    3.3858397738  -1.8204731014  -1.1729028697
H    3.5395762952   0.6663261937   2.3204717945
H   -5.7857577113   0.5866317416   0.5117385413
H   -2.4761974623   1.9240670812  -1.3854823228
H   -3.7538275658   3.9745279141  -1.4858736716
H   -2.5946818621   4.7907866557  -0.3082182377
*
