! 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  -2.7156603513  -0.3198265983  -2.7272512812
Cl   4.6764870599   2.0371978935   2.0372238956
Cl  -2.8796673850   4.8428007399  -1.2701008348
S    0.3749243442  -2.8777707153  -0.3277911482
N   -1.8084871764  -2.3901910465   1.5292095217
N   -0.2132141431  -0.4172364307  -1.0279019765
N   -1.1338974101  -2.0207638346   2.6203017705
N   -1.8149540119  -4.1538323067   2.7935428964
C   -1.9075948627  -1.5315899432   0.3831193650
C    1.9099829485  -2.2853646011  -1.0937423499
C   -0.6037478843  -1.4272514881  -0.3774022991
C    2.5930524233  -1.2094112186  -0.3017624785
C    2.9184772249  -1.3980383213   1.0377292752
C    2.9249713125  -0.0018405715  -0.9049901296
C   -0.9020310958   0.7882372448  -1.0555899583
C    3.5599143026  -0.4064730660   1.7629660637
C    3.5699567826   1.0008210338  -0.1964276016
C   -2.1940139276  -3.6631149157   1.6415265735
C   -2.0457790567   0.9953742944  -1.8271644040
C   -0.3805935865   1.8793532560  -0.3603455659
C    3.8789694406   0.7886908325   1.1367115589
C   -2.6584843493   2.2363980929  -1.9025496861
C   -0.9831135793   3.1222297092  -0.4116074370
C   -2.1202696227   3.2910804155  -1.1869136945
C   -1.1715515488  -3.1066867766   3.3450357852
H   -2.2392449745  -0.5432740238   0.7008145298
H   -2.6746150567  -1.9376615975  -0.2775552962
H    1.7070255834  -1.9627738217  -2.1133252977
H    2.5299938211  -3.1821123989  -1.1532257553
H    2.6638268900  -2.3262268509   1.5338341253
H    2.6742490116   0.1677142485  -1.9437726370
H    3.8057734005  -0.5662077823   2.8038183110
H    3.8184035428   1.9352718221  -0.6805839724
H   -2.7507703525  -4.1751492477   0.8726358607
H    0.5180786577   1.7402079970   0.2262531436
H   -3.5441105915   2.3703008796  -2.5080001660
H   -0.5640023348   3.9485651341   0.1450476985
H   -0.7191656539  -3.1464180649   4.3231723543
*