! 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   0.5840779862  -1.9633042472  -1.7714389765
Cl   5.2101413113  -0.7610261672   0.6345567268
O   -1.0833903563   1.4903720502   0.3971395240
N   -2.8904841572  -0.7793157207   0.5546340336
N   -4.7934851908  -1.2869949898  -0.4396209832
C   -0.7058355402   0.2086405943  -0.0228021979
C   -1.4735011095  -0.7968851775   0.8308571640
C    0.7816297150  -0.0320513076   0.1247816613
C    1.4512506135  -0.9973561545  -0.6204491807
C    1.5283024333   0.6926381699   1.0479407074
C   -3.8140045405   0.1237338831   1.0043870510
C   -3.5280526842  -1.5918596445  -0.3157519183
C   -0.7988321249   2.5107793594  -0.5455179257
C    2.8087932198  -1.2346720372  -0.4771983483
C    2.8863375075   0.4809212962   1.2162292426
C    3.5148572500  -0.4829507290   0.4460512864
C   -4.9817729115  -0.2123253537   0.3865143451
C   -1.1588379883   3.8251857787   0.0581857390
C   -1.9811414171   4.6960879318  -0.5115343948
H   -0.9913711048   0.0581172701  -1.0736154013
H   -1.1076411690  -1.8056617004   0.6440879105
H   -1.3079310898  -0.5900381500   1.8887860200
H    1.0428600860   1.4486740068   1.6503277560
H   -3.5717402502   0.8958431805   1.7139324378
H   -3.0191843327  -2.3979996607  -0.8224347776
H    0.2682454573   2.5090272067  -0.8045802335
H   -1.3577806852   2.3423482932  -1.4739922192
H    3.3016131702  -1.9885933016  -1.0750356825
H    3.4411575331   1.0624188208   1.9388886165
H   -5.9446261482   0.2610332941   0.4957903861
H   -0.6792800665   4.0711547598   1.0009879773
H   -2.1867638795   5.6578924090  -0.0602700272
H   -2.4743965401   4.4852385869  -1.4530697802
*