! 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  -0.8035810861   0.6669419047   1.9753674168
Cl   2.8699547003   3.2771824019   0.9013195058
Cl  -0.1566047103   4.3059906417  -1.9033935993
S    0.3679343762  -2.4762942597  -1.9570295386
N   -2.0108735012  -3.4241905598   1.1927779434
N   -1.3033465850  -1.2089269000  -0.1752588992
N   -3.3284577514  -3.6002080280   1.0676133076
N   -2.8305163780  -2.7818687390   3.0979659042
C   -1.1172542989  -3.5819410993   0.0807796710
C    1.9389972166  -2.3279660470  -1.0283889650
C   -0.7861654905  -2.2768137270  -0.5926124096
C    2.1956837449  -0.9362604561  -0.5444091896
C    2.3433210588   0.1124744026  -1.4516143451
C    2.2784632646  -0.6630891580   0.8131176357
C   -1.0443078707   0.0683569305  -0.6477689694
C    2.5663983844   1.4035995378  -1.0153846090
C    2.5064803835   0.6293827439   1.2696658212
C   -1.7360330150  -2.9164778351   2.3928854643
C   -0.7936441828   1.0657685486   0.2980689347
C   -1.0942711336   0.4372641582  -1.9899973503
C    2.6415321047   1.6501346998   0.3491615984
C   -0.5200742951   2.3685713533  -0.0762895867
C   -0.8457664235   1.7407292838  -2.3825261238
C   -0.5368023123   2.6893580625  -1.4223874070
C   -3.7685642159  -3.2135468774   2.2349669795
H   -1.5689200811  -4.2687196019  -0.6346103464
H   -0.1925884337  -4.0540696635   0.4209490152
H    2.6954461557  -2.6464938086  -1.7474799167
H    1.9514613292  -3.0497435629  -0.2117085868
H    2.2658788255  -0.0768366460  -2.5147695507
H    2.1618725083  -1.4613027608   1.5353695051
H    2.6665605373   2.2108318369  -1.7276040561
H    2.5578668506   0.8294875842   2.3305340666
H   -0.7342099405  -2.6810819048   2.7135448237
H   -1.3467865609  -0.2978377297  -2.7400712873
H   -0.2934662371   3.1153290058   0.6709049670
H   -0.8854232733   2.0050167756  -3.4298353459
H   -4.8184739328  -3.2474841031   2.4785516098
*