! 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  -0.8266888270  -2.4443311948   1.1001586577
Cl   3.0984198859   1.5157245858  -1.5405945901
S   -2.4778367279   2.3726211539  -1.4369421373
O    0.1950931234   1.1760482356  -0.2150336500
N   -2.4406173393  -0.2898970558  -1.0807497788
N   -3.2874523413  -1.2670272815  -0.6927023807
N   -4.4082201456   0.6008399690  -0.6836932381
C   -0.5484471868  -0.6832154577   1.0535049450
C   -0.0913903809  -0.0716046085   2.3315504671
C   -1.4999553573   0.1383608766   1.8629855531
C   -0.0399826310  -0.2014852243  -0.3068974902
C   -1.0564095259  -0.5439575533  -1.4155891244
C    1.2816724559  -0.8801171658  -0.7204524869
C    2.4412161503  -0.5128848017   0.1552929137
C    3.2911296550   0.5602268710  -0.1047495703
C    2.7044370533  -1.2651134317   1.3001569494
C   -3.1348541220   0.8701950749  -1.0598402435
C   -4.4529040362  -0.6927924061  -0.4655217688
C    4.3395951084   0.8876429696   0.7449278014
C    3.7431431474  -0.9537593985   2.1610345402
C    4.5604331002   0.1330060645   1.8855681842
H    0.6024650806   0.7553016798   2.2696113165
H    0.0750185817  -0.7333808528   3.1707602576
H   -2.2954052851  -0.3804853847   2.3812180515
H   -1.7751009620   1.1166912350   1.4883326318
H   -0.9789520964  -1.5931029879  -1.6952678001
H   -0.8251025089   0.0329038445  -2.3120222162
H    1.4830300158  -0.6058846901  -1.7578939625
H    1.1558459505  -1.9631661415  -0.7113597774
H   -0.5568438154   1.6720082666  -0.5961960489
H   -2.9934085000  -2.2270530849  -0.5723997027
H    2.0724279793  -2.1175384466   1.5159908168
H   -5.3123114183  -1.2571563625  -0.1419098792
H    4.9824993854   1.7263514030   0.5149161641
H    3.9142811197  -1.5592225027   3.0408836205
H    5.3761387349   0.3907127994   2.5476203813
*