! 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  -6.3316569458   2.0017279320  -1.6456797885
O    2.8557542138   1.6634136866  -0.0491229961
O    1.9692891573  -1.6349946773   2.2765780533
N    2.4489521791  -0.5136529871   0.3626012315
N    1.8544590374  -2.7793437153   0.3175589263
N    0.7273163901  -4.2845479492  -0.8269034417
C    2.5713995137   0.8107675998   1.0354146539
C    2.9401601704  -0.4410180840  -1.0406459145
C    3.6245685643   0.9270321429  -0.9702483219
C    1.2701269464   1.2848727281   1.6753482533
C    3.7222848754   0.8376275015   2.0366068176
C    3.9645527260  -1.5070734847  -1.4013036386
C    1.8126215225  -0.4003535520  -2.0665320985
C    0.0402606462   1.2136939180   0.7821024537
C    2.1058719375  -1.5899745470   1.0696332613
C   -1.1838701739   1.7719342053   1.4920795834
C   -2.4505076566   1.8099497460   0.6764126172
C    2.5666948525  -3.9492604918   0.4145894549
C    0.7505689338  -3.0449959875  -0.4273631422
C   -2.5614528107   1.2338815473  -0.5850790301
C   -3.5763883521   2.4471116147   1.2005184011
C    1.8644332426  -4.8548456415  -0.3167912230
C   -3.7492113321   1.2865194984  -1.3047795321
C   -4.7689459498   2.5111293379   0.5004769319
C   -4.8449415365   1.9262173676  -0.7551677171
H    4.6668521763   0.8303086072  -0.6416368339
H    3.6194267515   1.4407485287  -1.9309307499
H    1.4384586884   2.3208226022   1.9849790631
H    1.0957029898   0.7252511209   2.5947694796
H    3.5255640527   0.2080390607   2.8998366296
H    3.8598816704   1.8588205449   2.3934975462
H    4.6600167778   0.5075885645   1.5879699098
H    4.5096391589  -1.1764454209  -2.2871209712
H    3.5148891863  -2.4666823826  -1.6486333747
H    4.6943194667  -1.6565316937  -0.6047487591
H    2.2300417668  -0.1586133437  -3.0446955952
H    1.3076028373  -1.3582986555  -2.1686885789
H    1.0685819732   0.3590360353  -1.8270732329
H    0.2150457218   1.7715663443  -0.1408596466
H   -0.1514140377   0.1759561632   0.4945560858
H   -0.9677363070   2.7863982958   1.8405124879
H   -1.3719299172   1.1876027109   2.3985353733
H    3.4951368131  -4.0166823949   0.9561445351
H   -0.0199547284  -2.3107958633  -0.6032647169
H   -1.7181180654   0.7302037964  -1.0390024988
H   -3.5222384095   2.9077764939   2.1797292645
H    2.1184439692  -5.8855698663  -0.5043123311
H   -3.8081525734   0.8310606890  -2.2839216268
H   -5.6254375255   3.0134078176   0.9291647340
*