! 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   2.2731926302   0.9406385733  -2.5211598700
Cl  -4.1144565235  -3.0360097783   1.2546739469
Cl   3.1609022983  -3.7346433108  -0.0245772702
S   -1.5686857103   3.2256529945  -0.1769207896
N    1.8969465835   1.9678907432   1.3187563737
N   -0.0761556993   1.1438894273  -0.7190908168
N    2.2706653581   0.9705617098   2.1256252829
N    3.9646638120   1.5789987136   0.7860357471
C    0.5528844492   2.4770065144   1.3103450925
C   -2.6530659078   2.2304218243  -1.2466858495
C   -0.2377596982   2.1099644637   0.0729642641
C   -3.0402616716   0.9205592650  -0.6272695922
C   -2.7217690834  -0.2759358149  -1.2593088067
C   -3.7080136265   0.8735276497   0.5928256198
C    0.7407102561   0.0479087942  -0.4954622347
C   -3.0527956186  -1.4973388746  -0.6921570823
C   -4.0456455699  -0.3376528114   1.1758048895
C    2.9131519277   2.3135158846   0.5247882405
C    1.8379378458  -0.2141318450  -1.3138397967
C    0.3974481318  -0.9069657994   0.4610412859
C   -3.7090140805  -1.5158264671   0.5268259685
C    2.5950711547  -1.3642106170  -1.1702708749
C    1.1303717519  -2.0693624644   0.6106515337
C    2.2290875019  -2.2860477940  -0.2044869213
C    3.5098848420   0.7714808384   1.7649275965
H    0.5824821572   3.5639222319   1.4074372322
H    0.0388464158   2.0991890770   2.1937976029
H   -2.1728128915   2.0883897388  -2.2128637470
H   -3.5231392811   2.8707581886  -1.4034399321
H   -2.1966462368  -0.2620001737  -2.2050619237
H   -3.9645539327   1.7906462712   1.1085560723
H   -2.7888176325  -2.4183833563  -1.1933208319
H   -4.5642931131  -0.3586350214   2.1244279012
H    2.8472982312   3.1082439180  -0.2010905936
H   -0.4696960369  -0.7355479727   1.0857997193
H    3.4516406942  -1.5350136907  -1.8073495721
H    0.8453591907  -2.7945432649   1.3598910078
H    4.1189234343   0.0171068911   2.2370323749
*