! 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   2.0245470747  -1.3657349897   2.2979593882
Cl  -8.1972155385   0.3947819440  -0.6730127349
Cl   6.0781957472  -2.1366046857  -1.1411720093
S   -1.5213085179   1.2722445471   0.1316484716
N    2.3001561523   2.0760629623   0.4488269104
N    0.5757810154  -0.3006944306  -0.0456779881
N    3.4279211211   2.0913739438  -0.2674919276
N    3.8817060447   1.8194802958   1.9131701460
C    1.0027120722   2.1663807871  -0.1671457436
C   -2.2841819246  -0.3765020734   0.0248992204
C    0.1779400647   0.8999778778  -0.0305078983
C   -3.7607081287  -0.1912476442  -0.1436411157
C   -4.3146209252  -0.0889151134  -1.4160646877
C   -4.5979683469  -0.0972341643   0.9630960903
C    1.8930429473  -0.6674207451  -0.3001024568
C   -5.6777354134   0.0903603914  -1.5880414570
C   -5.9640608628   0.0844628920   0.8094296026
C    2.5871903124   1.9085556968   1.7418376454
C    2.6754149846  -1.2353191328   0.7046164466
C    2.4333536321  -0.5912268781  -1.5814247572
C   -6.4911817215   0.1757860059  -0.4688039027
C    3.9650837238  -1.6753133437   0.4620764540
C    3.7112117266  -1.0461603255  -1.8513166099
C    4.4710397393  -1.5771226369  -0.8229526743
C    4.3414887837   1.9264341273   0.6505253889
H    1.1447285751   2.3921646524  -1.2234349389
H    0.4611509209   3.0099911424   0.2628242370
H   -2.0481901283  -0.9338950604   0.9298831365
H   -1.8485748742  -0.9005566874  -0.8245561738
H   -3.6781569315  -0.1563586500  -2.2895065982
H   -4.1862470324  -0.1731935913   1.9616987672
H   -6.0959228347   0.1591252491  -2.5826997742
H   -6.6050068064   0.1494340895   1.6776927514
H    1.8334701857   1.8813484256   2.5127162450
H    1.8363378995  -0.1762196911  -2.3828316440
H    4.5582146147  -2.0908926557   1.2646954158
H    4.1066457410  -0.9783557971  -2.8550923684
H    5.3901805785   1.8951307615   0.4016012442
*