! 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   1.7578592048   1.9991811585   1.7770004736
Cl   4.2876153402  -0.5515980909  -2.1556967351
O   -1.6964087547  -0.7033130826   0.7443424158
O   -0.6628910060   0.4093732241   2.3710793484
N   -1.4336884783   1.7243137201  -0.9446568866
N   -0.4705192983   2.3771744101  -1.6019842190
N   -1.7727276401   1.2462464278  -3.0375626188
C   -0.8031530198   0.3381182120   0.9812794905
C   -1.4388603419  -1.7051120666   1.7264836837
C   -0.9061020090  -0.8837194627   2.9067445064
C   -2.7044281903  -2.4784379422   2.0190530049
C   -1.4410935346   1.6445334839   0.4936352225
C    0.5238214548   0.0831367163   0.2660926695
C   -3.2101593072  -3.2966129505   0.8376789363
C    1.6907851024   0.7924600963   0.5368123186
C    0.5627489407  -0.8237308472  -0.7892115976
C   -4.4795930424  -4.0647947510   1.1710504868
C    2.8529795213   0.5985941719  -0.1942030687
C    1.7050836342  -1.0334646412  -1.5418208827
C   -2.1878620059   1.0455327507  -1.8111112909
C    2.8459856228  -0.3158308578  -1.2320606220
C   -0.7199022789   2.0632736394  -2.8452390625
H   -0.6630650859  -2.3897876375   1.3612270710
H   -1.6372797062  -0.7942962422   3.7135593607
H    0.0099357155  -1.3142685351   3.3158913345
H   -3.4780493430  -1.7836684660   2.3621148585
H   -2.4941673311  -3.1463007039   2.8597479653
H   -0.8975866731   2.5040770697   0.8777167991
H   -2.4672170830   1.7027754519   0.8561351902
H   -2.4295345348  -3.9955850823   0.5236890853
H   -3.3970492488  -2.6410162107  -0.0162886286
H   -0.3261305004  -1.3830203882  -1.0451264807
H   -5.2891156233  -3.3889556921   1.4526914419
H   -4.8239851591  -4.6519862882   0.3192866558
H   -4.3216984251  -4.7529630561   2.0034281676
H    3.7449633329   1.1628244335   0.0391766678
H    1.6961402341  -1.7438966301  -2.3562515691
H   -3.0294574359   0.4418878366  -1.5118105456
H   -0.1182591246   2.4484024605  -3.6533548912
*
