! 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   2.0504298090  -0.8473578983   3.5216787198
Cl  -2.6919310030   0.0425351865  -4.2206799787
Cl   3.7399328256  -4.2648144231  -0.2593843455
S   -1.2794330143   2.0679971794   2.1386430538
N    0.9614233067   2.2640020311  -0.1624719097
N   -0.1880634237  -0.2721880601   1.6078054537
N    0.8855627273   1.4724891578  -1.2370536645
N    0.3020478397   3.5743742033  -1.7619222031
C    1.2286541841   1.7145248947   1.1431255940
C   -2.7676370838   1.1185536588   1.6862126559
C   -0.0041180711   0.9764260974   1.6229086790
C   -2.8093046168   0.8478021170   0.2133972619
C   -2.8106941732   1.8987011207  -0.7004559605
C   -2.8062689435  -0.4554933734  -0.2673084981
C    0.7841041684  -1.1614735048   1.1556990748
C   -2.7878542423   1.6591555369  -2.0628542705
C   -2.7856218555  -0.7146028597  -1.6313585492
C    0.5897081431   3.5048258236  -0.4861487400
C    1.8493022663  -1.5627706516   1.9607270253
C    0.6600547065  -1.7457719742  -0.1022295850
C   -2.7629962038   0.3487714882  -2.5161799333
C    2.7611879083  -2.5174223975   1.5385946292
C    1.5614324413  -2.6950605929  -0.5450487966
C    2.6069200829  -3.0751180457   0.2822441714
C    0.4866264837   2.3003544949  -2.1650033438
H    1.4795456817   2.5318199945   1.8194659409
H    2.0963441445   1.0607265133   1.0818826544
H   -3.5929395251   1.7571829977   2.0043411472
H   -2.8142565152   0.2034396695   2.2725280166
H   -2.8069403896   2.9229721373  -0.3486292010
H   -2.8090645167  -1.2862588161   0.4260592823
H   -2.7796872840   2.4840303410  -2.7617534396
H   -2.7729412457  -1.7344538336  -1.9911626433
H    0.5681643224   4.3171512141   0.2226960460
H   -0.1586246782  -1.4419567793  -0.7391013331
H    3.5795825484  -2.8108584747   2.1807455135
H    1.4475877945  -3.1302326443  -1.5279637082
H    0.3374457068   1.9769552858  -3.1831334072
*