! 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   0.7948340452  -0.9809273570   2.6606611142
Cl   4.1030383812  -1.5171080066  -1.4820132997
O   -2.2600329148   0.1030241270  -0.4734434557
O   -1.9318087978  -0.9099537773   1.4756971346
N   -0.3817609283   2.2807052623   0.7002880859
N   -0.6281109940   2.8523747428  -0.4815959026
N    1.4924889723   3.2341199254   0.1504662670
C   -1.3686926499   0.0186669736   0.5934395008
C   -2.7802461263  -1.2086846753  -0.6867502621
C   -2.6564217527  -1.8535988111   0.7014943526
C   -1.3096074665   1.3722118230   1.3176335078
C    0.0151457169  -0.4138967146   0.1024229371
C   -4.1933014825  -1.1249638990  -1.2194637815
C   -4.2821272874  -0.4678063072  -2.5880863716
C    1.0243802947  -0.8700955324   0.9468995073
C    0.3290117669  -0.2863423567  -1.2479409839
C    2.2806315608  -1.2155848293   0.4715584179
C    1.5732474274  -0.6220698382  -1.7518880372
C    0.8855880152   2.5045372039   1.0525614017
C    2.5404788483  -1.0904673422  -0.8813145696
C    0.5188334258   3.4141148392  -0.7617368595
H   -2.1502165190  -1.7426085975  -1.4088775385
H   -3.6268734146  -2.0163095528   1.1747867240
H   -2.1298085467  -2.8094144246   0.6547639599
H   -0.9920780296   1.2254804153   2.3476322066
H   -2.3025885913   1.8183921702   1.3376849835
H   -4.8219088853  -0.5977353746  -0.4961365573
H   -4.5777981524  -2.1463019420  -1.2779039295
H   -3.6594669324  -0.9891927680  -3.3174531901
H   -5.3063685726  -0.4848094873  -2.9595506383
H   -3.9617697896   0.5735854858  -2.5610438707
H   -0.4182648731   0.0870292310  -1.9330343610
H    3.0425814412  -1.5706528364   1.1512212923
H    1.7780531516  -0.5141770006  -2.8076324761
H    1.3132224757   2.1382320548   1.9731799194
H    0.6587601832   3.9866880193  -1.6650791819
*