! 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   1.7882516371  -1.8325228444   1.5592898206
Cl  -8.1678187028   0.2035166817   0.3455345250
Cl   6.2078261317  -1.7479057023  -1.4917630098
S   -1.4870554783   1.3582790022  -0.0102121228
N    2.2877980505   1.9434963224   0.7948646261
N    0.6089368472  -0.1344133662  -0.5402135276
N    3.4801691738   2.1020955217   0.2123911861
N    3.7155722446   1.2360882162   2.2689940853
C    1.0565239735   2.2440155093   0.1127324847
C   -2.2475848680  -0.1951565656  -0.5735363274
C    0.2169888147   1.0154759532  -0.1884225821
C   -3.7248186123  -0.0937715812  -0.3475328801
C   -4.5568331779   0.4526577020  -1.3195594358
C   -4.2857502462  -0.5314758358   0.8481421556
C    1.9449307159  -0.4582722306  -0.7526998945
C   -5.9245450426   0.5496946045  -1.1139964369
C   -5.6510479435  -0.4435683915   1.0697143587
C    2.4453957858   1.4231281726   2.0143526736
C    2.6135402800  -1.2937946872   0.1416864163
C    2.6215960968  -0.0603726231  -1.9027234045
C   -6.4591800763   0.0976025032   0.0821625323
C    3.9246788739  -1.6840919223  -0.0674835218
C    3.9249509695  -0.4575958119  -2.1427549822
C    4.5703147512  -1.2583250733  -1.2157589314
C    4.2979263910   1.6589281238   1.1288404520
H    1.3009454494   2.7494564425  -0.8212680093
H    0.4807958481   2.9519438859   0.7104555612
H   -1.8120537479  -1.0161956296  -0.0063911306
H   -2.0106161844  -0.3417411540  -1.6264570439
H   -4.1395852946   0.8015740065  -2.2559817548
H   -3.6545283613  -0.9565833050   1.6185384024
H   -6.5614857214   0.9686784264  -1.8807807868
H   -6.0749849477  -0.7970144051   1.9995065875
H    1.6196749407   1.2213655639   2.6782670463
H    2.1148930351   0.5674238057  -2.6239431299
H    4.4274336926  -2.3128091674   0.6540354008
H    4.4297592348  -0.1348609589  -3.0425120695
H    5.3650739571   1.6491957179   0.9735969310
*