! 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   0.4800813158   0.0025250533   1.9231386907
Cl  -3.8008907731  -3.5495974242   0.5580381052
Cl  -0.0190267130  -4.1784568756  -1.3938457606
S   -0.7985648775   2.8005825596  -0.3831502539
N    2.7761114836   3.4450862871   0.9934138323
N    1.5992497252   1.4117552714  -0.4550828439
N    2.6344216239   3.3994861204   2.3215567992
N    4.6841018279   2.7077052707   1.7202760261
C    1.6587877801   3.7193721770   0.1374082699
C   -1.5327798772   1.6081765031  -1.5367730193
C    0.9196342867   2.4534356261  -0.2540401162
C   -2.0837670178   0.3333612878  -0.9629895657
C   -2.5171054446   0.2186821157   0.3519074043
C   -2.2268820084  -0.7609084972  -1.8101718469
C    1.1353226180   0.1287805347  -0.6961729793
C   -3.0489147846  -0.9703983658   0.8253270777
C   -2.7688167198  -1.9526418852  -1.3578082575
C    3.9894081146   3.0139625277   0.6529754279
C    0.6443166644  -0.6667088169   0.3415659206
C    1.2920562182  -0.4598579578  -1.9496242836
C   -3.1633519005  -2.0500791384  -0.0344685279
C    0.2999875318  -1.9924890054   0.1388596001
C    0.9407862491  -1.7781215022  -2.1741305201
C    0.4477521359  -2.5350972924  -1.1237784547
C    3.8021449676   2.9613781853   2.7060697661
H    2.0086632431   4.2053264388  -0.7745742150
H    1.0057664605   4.4285852872   0.6434635311
H   -0.8285316201   1.4138117028  -2.3444131021
H   -2.3454815757   2.1872457045  -1.9837401400
H   -2.4218484386   1.0518270473   1.0354740264
H   -1.9037127213  -0.6922628790  -2.8411771092
H   -3.3640618216  -1.0496367909   1.8566092177
H   -2.8580327632  -2.7972447253  -2.0261745917
H    4.3272258103   2.9568956164  -0.3692952047
H    1.6926198018   0.1319735589  -2.7617480615
H   -0.0861837739  -2.5846074055   0.9561444240
H    1.0535162962  -2.2049187233  -3.1609165950
H    4.0344866705   2.8252582796   3.7505259555
*