! 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  -1.3221798146  -2.9281218674  -0.4936270029
Cl   2.7864862875  -0.1483907258   2.5562188604
S   -1.6900527284   2.8335143201  -0.1082761981
O   -0.0022694683   0.4508093538   1.1550691687
N   -1.8832982308   0.4257511289  -1.2782501981
N   -2.8336996820  -0.3542983347  -1.8349105491
N   -3.7987602353   1.4967360755  -1.2102700461
C   -1.1262941528  -1.5780053612   0.6532869251
C   -1.2469277510  -1.9288250651   2.0934608236
C   -2.3492392578  -1.1746978625   1.4057666938
C   -0.0934315873  -0.5519103972   0.1816258679
C   -0.4949753924   0.0270452842  -1.1880698229
C    1.2872222565  -1.2356504360   0.0619452881
C    2.4090398490  -0.2607168796  -0.1381829758
C    3.1202237267   0.3097202421   0.9166046724
C    2.7815789264   0.1173951183  -1.4279457723
C   -2.4861982575   1.5685043255  -0.8803634459
C   -3.9648632124   0.3220563826  -1.7715612305
C    4.1383783781   1.2281963173   0.7031945926
C    3.7918472584   1.0366700131  -1.6621077026
C    4.4692546903   1.5987961726  -0.5906079410
H   -0.6105018610  -1.3970693966   2.7888798722
H   -1.4232138073  -2.9653040534   2.3473869212
H   -3.2682198515  -1.7044624933   1.1931051647
H   -2.4816955133  -0.1258724401   1.6406965144
H   -0.3095671301  -0.6876858428  -1.9877351661
H    0.1005488068   0.9128926233  -1.4131538082
H    1.2774161162  -1.9443804988  -0.7667365329
H    1.4500783667  -1.8233875287   0.9665886172
H   -0.4468390052   1.2665282578   0.8506809742
H   -2.6473571393  -1.2991093623  -2.1437217372
H    2.2674919603  -0.3290794119  -2.2706807369
H   -4.8901176317  -0.0794178798  -2.1517330265
H    4.6720438354   1.6509747074   1.5435106122
H    4.0511490442   1.3067191257  -2.6768336872
H    5.2616889995   2.3164518523  -0.7548327149
*