! 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   5.2565979832   3.8276817203  -0.2055493295
O   -1.4050755046  -1.1905114476   1.6396518228
N   -1.2481116775  -2.8534177033  -0.5426517809
N   -1.6962154270  -3.7303657573   0.3619228561
N    0.1160432169  -4.5420768889  -0.6762127630
C   -1.6716808192  -0.5584049363   0.4091737254
C   -2.8439983456   0.4528959220   0.4721895084
C   -0.4931570508   0.3863526961   0.1162729677
C   -2.5563442434   1.4146795422  -0.6924560463
C   -1.0371472417   1.3436073621  -0.9445474158
C   -4.2854202925  -0.0682599104   0.4957607270
C   -1.9136829727  -1.5831788201  -0.7294804062
C    0.8392017326  -0.2668584287  -0.2437741727
C   -4.5361074996  -1.1332584478   1.5606138847
C   -5.2490354247   1.0974258003   0.7061178692
C    1.9595785894   0.7350790253  -0.2464072642
C   -0.1725087407  -3.3513967654  -1.1480174946
C    2.3806221491   1.3474028666  -1.4233125155
C    2.5817446346   1.1037058131   0.9444137830
C    3.3903702314   2.2994980390  -1.4218521416
C    3.5937720022   2.0510900677   0.9680857443
C   -0.8458679943  -4.7181964258   0.2467132669
C    3.9892071250   2.6431660741  -0.2212489007
H   -2.6866329441   0.9981231171   1.4123010132
H   -0.3451799495   0.9530348998   1.0443249099
H   -2.8820579491   2.4280568616  -0.4594916530
H   -3.1101078995   1.1096940053  -1.5845243355
H   -0.8275605873   0.9605661809  -1.9475225435
H   -0.5588603437   2.3211725512  -0.8852108566
H   -4.5200498324  -0.5051616003  -0.4820224435
H   -1.5930410362  -1.1828279748  -1.6908187928
H   -2.9740947966  -1.8067533452  -0.8350747821
H    0.7760412764  -0.7243110520  -1.2336075408
H    1.0688412371  -1.0635483798   0.4681857852
H   -2.0188212459  -1.9190190276   1.7831985315
H   -4.0333211904  -2.0794446632   1.3486265456
H   -4.2226519825  -0.7950898847   2.5509864088
H   -5.6007642387  -1.3668816530   1.6190149067
H   -6.2835992424   0.7500191303   0.7123348097
H   -5.1661037971   1.8500340521  -0.0787891874
H   -5.0634729511   1.5933697614   1.6622990951
H    0.3541261394  -2.8356687206  -1.9349929172
H    1.9180185863   1.0786675683  -2.3651605699
H    2.2788030532   0.6402021467   1.8758092713
H    3.7032194970   2.7619461303  -2.3481410958
H    4.0673924830   2.3187194774   1.9027795200
H   -0.9305673485  -5.6079883814   0.8506732286
*