! 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  -5.0303944836   1.4820666210  -2.3569081026
O    2.0421142345   1.5617920612  -0.3310152271
O    1.8811760478  -1.5811049033   2.3581047413
N    1.9282186163  -0.6058619598   0.3058990688
N    1.7772406305  -2.9297492332   0.5370457281
N    0.8867323661  -4.6878046760  -0.4428263081
C    1.8421187620   0.7904830853   0.8319759047
C    2.2765965478  -0.5932674070  -1.1406617477
C    2.8568610968   0.8174135375  -1.2047954700
C    0.4346698688   1.0721044282   1.3502576304
C    2.9354295378   1.1106494896   1.8481506578
C    3.3348938052  -1.6025982081  -1.5591484016
C    1.0457367289  -0.6839504621  -2.0387218748
C    0.1870549330   2.5231189180   1.7431341440
C    1.8749786808  -1.6426235516   1.1439795443
C   -1.2659756831   2.7632867239   2.1665220236
C   -2.2446543696   2.4627645655   1.0663008396
C    2.6630553516  -3.9624263227   0.7212562738
C    0.7229396082  -3.4270007911  -0.1597043787
C   -3.0397234985   1.3211781645   1.0951368526
C   -2.3385825860   3.2996599270  -0.0440727554
C    2.1034570350  -5.0276939951   0.0889192915
C   -3.9005457008   1.0114151505   0.0511031124
C   -3.1910820155   3.0090764563  -1.0974580122
C   -3.9652594663   1.8602080131  -1.0405732421
H    3.9080987635   0.8253262021  -0.8896957021
H    2.7960851436   1.2483751267  -2.2035184869
H    0.2352982203   0.4302050606   2.2108273901
H   -0.2714909656   0.7793620718   0.5687251304
H    3.0087822739   2.1924199846   1.9593143477
H    3.9106123586   0.7457896988   1.5241872241
H    2.7264262326   0.6907687521   2.8275813271
H    2.9373425120  -2.6021522067  -1.7233915089
H    4.1537336569  -1.6627614867  -0.8418301815
H    3.7574777795  -1.2742866316  -2.5102927775
H    0.5913120847  -1.6720659768  -2.0200628316
H    0.2836181186   0.0448565389  -1.7633667537
H    1.3368246806  -0.4874473508  -3.0711606383
H    0.8346446581   2.8090151878   2.5749418209
H    0.4311329388   3.1904153508   0.9129966235
H   -1.3691834086   3.8054583506   2.4773415724
H   -1.4963946470   2.1516711379   3.0420478425
H    3.5967588772  -3.8365035728   1.2428890430
H   -0.1549879453  -2.8397036757  -0.3747604410
H   -2.9888827577   0.6522049949   1.9456904215
H   -1.7348738849   4.1980735853  -0.0947360022
H    2.5103635110  -6.0209041473  -0.0111960354
H   -4.5072335941   0.1170129578   0.0929828044
H   -3.2489567859   3.6714594528  -1.9504872962
*