! 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  -2.4166886666   0.9530776527   2.5591748249
Cl   4.7179422551   1.0100642792  -3.1092886866
Cl  -2.9592152855   4.8610277795  -1.0875368980
S    0.5948543450  -2.3997096242   1.2697428457
N   -2.0368501430  -2.8753605279   0.2435969889
N   -0.0624565431   0.1160994951   0.8986273158
N   -1.7202776382  -3.8745335059  -0.5857666171
N   -2.6976546415  -4.6689818778   1.2736396949
C   -1.6681657945  -1.5101626959  -0.0163605618
C    2.1201613510  -1.5062011114   1.6915903631
C   -0.4181505588  -1.0825935031   0.7208888604
C    2.7790310956  -0.8817207591   0.4980180571
C    2.9862015326   0.4917365957   0.4430120300
C    3.1939688421  -1.6629620135  -0.5765225925
C   -0.7986689486   1.1894100600   0.4102939251
C    3.5878710365   1.0820473162  -0.6587540925
C    3.7931484402  -1.0908725336  -1.6872236460
C   -2.6070107845  -3.3662634056   1.3466080752
C   -1.8855400295   1.7221511984   1.1039514359
C   -0.3972463968   1.8285324399  -0.7616134252
C    3.9807621253   0.2826901772  -1.7190439512
C   -2.5553547844   2.8488688165   0.6550478571
C   -1.0555378453   2.9506806233  -1.2310464722
C   -2.1314312029   3.4531731202  -0.5158679365
C   -2.1402540449  -4.9210027628   0.0730914657
H   -2.5047296781  -0.8637928740   0.2459163909
H   -1.5012488262  -1.3985441819  -1.0879699236
H    2.7542028321  -2.2754956608   2.1367369826
H    1.9068154618  -0.7711881312   2.4656062917
H    2.6709921619   1.1175994400   1.2669422411
H    3.0435726935  -2.7354412823  -0.5589465839
H    3.7374609399   2.1526655617  -0.6875509212
H    4.1068494324  -1.7108070930  -2.5157518256
H   -2.9417185773  -2.7432876433   2.1617509129
H    0.4533277397   1.4376508073  -1.3044538584
H   -3.3954242421   3.2408356704   1.2115376504
H   -0.7262628629   3.4266581382  -2.1439814741
H   -2.0445766653  -5.9158021865  -0.3320777674
*