! 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   0.3726128784   0.2693627664  -2.3561473468
Cl  -2.7651415179   3.5721560009   0.3711032915
O    1.2475404215  -1.5154206894   1.8210431804
N   -0.7228527350  -2.5477447189  -0.1622404089
N   -1.1881177544  -2.8117112587   1.0640607274
N   -2.8858078309  -2.5722811354  -0.3754416914
C    1.1458260340  -1.0783539690   0.4835276523
C    2.5600360463  -0.6729063989   0.0536941550
C    0.6784148916  -2.2721226941  -0.3751431744
C    3.1553692705   0.4736576653   0.8630102082
C    0.1621077338   0.0991842168   0.3882802318
C    4.5972373907   0.7872094892   0.4727081270
C   -0.2274694198   0.7372659653  -0.7916674645
C   -0.3959589399   0.6045969278   1.5622826753
C    4.7551646220   1.3047482626  -0.9500180960
C   -1.1230524125   1.7973285030  -0.8080171343
C   -1.2879152068   1.6626254471   1.5814826263
C   -1.7450481866  -2.3869941125  -0.9988382918
C   -1.6493418864   2.2529147425   0.3856214382
C   -2.4850879634  -2.8202084139   0.8824285641
H    2.5517337418  -0.4153376761  -1.0049409645
H    3.1995886571  -1.5572167333   0.1457901916
H    1.2663270785  -3.1487225314  -0.1017747874
H    0.8240245567  -2.1076370934  -1.4378453019
H    2.5492996242   1.3758751917   0.7328225090
H    3.1234256323   0.2317021051   1.9272659519
H    5.2144416971  -0.1058957319   0.6101935380
H    4.9893945595   1.5341464198   1.1674516185
H    0.4341239369  -1.9923746785   2.0503318365
H   -0.1165417966   0.1695741034   2.5096798127
H    5.7884689680   1.5899401773  -1.1519882171
H    4.4775142317   0.5584177078  -1.6955724704
H    4.1322362450   2.1855101988  -1.1192755583
H   -1.4007499698   2.2588360569  -1.7452645600
H   -1.6879226936   2.0149440102   2.5217990071
H   -1.6181938516  -2.1648509770  -2.0464266550
H   -3.1671675311  -3.0178036598   1.6942262039
*
