! 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   1.1069419224   0.0381059652   2.1333149315
S    1.7200438494  -1.2317806337  -0.7915698462
O    2.2111088738  -1.4651311931  -2.1326339340
O    1.4848033449  -2.3589160543   0.0873945002
O    0.9702919391   1.3304337549  -2.0550853046
O   -3.4732175641  -1.8977512362   0.9969654397
N    0.2490675429  -0.4604717092  -0.8618528082
N   -1.1661228298   1.3261268343  -1.3206644666
N   -3.3649714350   1.6249397982  -0.7999409102
N   -2.2610723387  -0.3365404231  -0.1259402876
N   -4.5362870474  -0.0420291449   0.3793937234
C    2.7926061335  -0.0587868528  -0.0121930254
C    2.5300992125   0.4583536931   1.2546245051
C    3.9468706735   0.3112472026  -0.6897982936
C    3.4155479274   1.3529222422   1.8311570904
C    4.8394012577   1.1917819029  -0.1032492527
C    0.0844472648   0.7592263923  -1.4568684736
C    4.5699553892   1.7126283082   1.1523705336
C   -2.3007965184   0.8461019469  -0.7241161198
C   -4.4624251245   1.1348801868  -0.2267156304
C   -3.4073727366  -0.7330761039   0.3989246277
C   -5.6938151203   1.9603335970  -0.3031968734
C   -2.3019290745  -2.7145827673   1.0520924835
H   -0.5435073437  -0.8562070586  -0.3390796105
H    4.1538538779  -0.0843750700  -1.6732031570
H    3.2060498121   1.7653230144   2.8081824565
H    5.7383448466   1.4733380520  -0.6325465806
H    5.2579628751   2.4079987844   1.6127961851
H   -6.4428278463   1.6263366202   0.4091352138
H   -5.4689691483   3.0113565167  -0.1323080256
H   -6.1181453332   1.8804720292  -1.3063751072
H   -2.6025978531  -3.6232721426   1.5644374908
H   -1.5072623735  -2.2326786707   1.6217271552
H   -1.9469226318  -2.9699293967   0.0541726510
H   -1.2627486251   2.2294465232  -1.7671407515
*