! 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   2.0823284964  -0.5900777070   3.3393533082
Cl  -3.4218552277  -1.0493302471  -3.7969125395
Cl   2.8222746429  -4.9398053209   0.2819818511
S   -0.7255371119   2.6139773549   1.4347049076
N    1.6723694803   2.5321346034  -0.3521306235
N   -0.1242031549   0.0560271427   1.3788055556
N    2.0502106007   3.8035713772  -0.2048964864
N    1.1556515323   3.4746709610  -2.2376977685
C    1.7132508412   1.5865092796   0.7335999250
C   -2.3633563041   1.8302969467   1.3737907517
C    0.3181899139   1.2257261621   1.1953972654
C   -2.6238704722   1.1208307967   0.0773333406
C   -3.0527294389  -0.2010898694   0.0799024971
C   -2.4485635259   1.7629110342  -1.1453951849
C    0.6264137005  -1.0849988074   1.1173201524
C   -3.3071649962  -0.8754412329  -1.1057185279
C   -2.6905585099   1.1033271679  -2.3398262460
C    1.1259026894   2.3578763977  -1.5560044269
C    1.6455591860  -1.5323120930   1.9581281698
C    0.3011819041  -1.8706088821   0.0124984990
C   -3.1181780387  -0.2153393531  -2.3081458008
C    2.3226459240  -2.7168447300   1.7138232468
C    0.9732709620  -3.0480058776  -0.2573187396
C    1.9799586083  -3.4637145005   0.6006349119
C    1.7281177766   4.3206266302  -1.3609505388
H    2.2767356278   2.0375530934   1.5496506999
H    2.2522870799   0.6941692987   0.4162850195
H   -3.0524946312   2.6662514114   1.5116705730
H   -2.4872922515   1.1642939303   2.2255446415
H   -3.1880907689  -0.7231934341   1.0181384189
H   -2.1100844273   2.7911927308  -1.1765944978
H   -3.6364333280  -1.9053356307  -1.0846608589
H   -2.5487045529   1.6153472452  -3.2816779248
H    0.7439519522   1.4079792852  -1.8977017118
H   -0.4973848453  -1.5449073187  -0.6414538112
H    3.1084644880  -3.0414829698   2.3815361955
H    0.7081201091  -3.6339619018  -1.1260725884
H    1.9204926747   5.3577569263  -1.5850702265
*