! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.9230157056  -0.2226563688   1.5959547638
S   -2.0076033149  -1.5952697144   0.0323890105
O   -1.8220381355  -1.9752435062  -1.3530445152
O   -2.8335517546  -2.4002268416   0.8998233045
O   -1.0472227554  -0.7411107169   2.6898567332
O    3.0360390201  -1.6988981942  -1.9627792718
O    5.6253837706  -0.1405578779   1.5628858858
N   -1.9664722724   1.0857938864  -0.4657090563
N   -0.8129017262   1.0305840823  -1.1209488710
N   -3.7990399746   1.8944302977   0.4966530085
N   -0.4649170748  -1.4945063572   0.6260794941
N    1.1409509024  -0.7499508161   2.1282931695
N    2.0784079752  -1.2697764834   0.0671296661
N    3.3812434317  -0.4585762593   1.8595221082
C   -2.6039971366   0.0249452696   0.1262013911
C   -0.3690353463   2.1667849053  -1.5826150653
C    0.9333810742   2.1559747326  -2.3170384575
C   -2.7199484296   2.1957844314  -0.2158248899
C    2.0011620196   3.0248416751  -1.6475479525
C   -1.0758565334   3.3910592406  -1.4089750691
C   -2.2498445296   3.4153337435  -0.7272100021
C   -3.7257592051   0.5838883627   0.7080282829
C    2.3985753710   2.5356517420  -0.2638524572
C   -0.1883521771  -0.9804571186   1.8683452667
C    2.2441853504  -0.8344330698   1.3043165438
C    3.1576258896  -1.2995477286  -0.7082426334
C    4.4516676693  -0.5062561014   1.0777250907
C    4.4067319986  -0.9198584637  -0.2494339748
C    1.7513410388  -2.0944055040  -2.4421460844
C    5.7075826808   0.3146170735   2.9122392412
H    1.2884435255   1.1282074534  -2.4057469528
H    0.7565491248   2.5217513992  -3.3315703043
H    1.6573144394   4.0610310770  -1.5930887521
H    2.8784463846   3.0346525134  -2.2970986516
H   -0.6670196818   4.2994451577  -1.8281342355
H   -2.8157830830   4.3219909388  -0.5715506267
H    1.5528116512   2.5037512480   0.4254520134
H    2.8265803549   1.5340754375  -0.3171323525
H    3.1537695907   3.1862260845   0.1777693803
H    1.3254624473  -0.3974120339   3.0583601624
H    5.2845536017  -0.9433940118  -0.8781015913
H    1.3664834922  -2.9567634399  -1.8975225549
H    1.8992626049  -2.3712409910  -3.4819480722
H    1.0309619198  -1.2766719776  -2.3968014785
H    6.7521869343   0.5659886064   3.0722858448
H    5.4140123734  -0.4612575460   3.6184381729
H    5.0969895303   1.2019561541   3.0755115765
H    0.3189933839  -1.5491122662  -0.0420043718
*