! 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   0.3874814371   1.0743260472  -2.1879320953
Cl   3.3455695606   4.2150801834   0.9359592005
O   -1.3153016657  -0.4082566498  -0.3358442108
O   -0.5232809062  -1.1575871295   1.6268284265
N   -0.1704370960  -2.9659229427  -0.5443843415
N   -0.8199438761  -3.1444305437  -1.6979205946
N   -1.4254110163  -4.7086561135  -0.2066737633
C   -0.1409744522  -0.6895432805   0.3642018078
C   -2.4470361781  -0.6033982714   0.5072374918
C   -1.8210881070  -0.6539422688   1.8896205442
C    0.6565531483  -1.8124346174  -0.3113920352
C    0.7252049127   0.5613256311   0.4786793168
C   -3.4543307175   0.5095388760   0.3201026443
C   -4.0104070121   0.5911722159  -1.0924463124
C    1.0027033454   1.3967151691  -0.6026933903
C    1.3057739892   0.8866529130   1.7004071184
C    1.8046814609   2.5203147054  -0.4708327470
C    2.1098080559   2.0027013281   1.8609203421
C   -0.5523574033  -3.8950649213   0.3343257501
C    2.3483882468   2.8146683594   0.7670680542
C   -1.5507151151  -4.1975891463  -1.4468310485
H   -2.9123123929  -1.5678584569   0.2624760506
H   -1.7737573711   0.3403891101   2.3499487770
H   -2.3305826896  -1.3314819818   2.5724114389
H    1.4959579206  -2.0942434637   0.3241423950
H    1.0632665116  -1.4897018111  -1.2664563701
H   -4.2690392868   0.3357784080   1.0284635395
H   -2.9953820486   1.4615552076   0.6010804686
H   -3.2293055719   0.8237511135  -1.8164789995
H   -4.4762597660  -0.3491584742  -1.3927732588
H   -4.7694387969   1.3701771305  -1.1651587518
H    1.1276092853   0.2558685132   2.5595669504
H    2.0004640831   3.1529915066  -1.3252304055
H    2.5402725390   2.2280456508   2.8263323658
H   -0.1570138898  -3.9585572948   1.3349573271
H   -2.1980456492  -4.6247078681  -2.1965586339
*
