! 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   1.5214996418   0.4501956360   3.1429612714
Cl  -3.8812425823  -2.7268009672  -2.6801118619
Cl   3.2670113965  -3.7169498705   0.2472489869
S   -1.5507766696   3.1408229767   0.0866546428
N    2.1774495489   2.0450265795  -0.4629877327
N   -0.2635989174   0.9740199343   0.8132474398
N    2.6843355509   2.5187845373   0.6768820018
N    4.1202399393   1.0947116757  -0.2953414257
C    0.8590772405   2.4137414255  -0.8954774892
C   -2.8945503507   2.1073513851   0.7492400397
C   -0.2218834986   2.0042361427   0.0843029344
C   -3.1601589504   0.9018285748  -0.1013600508
C   -2.9919164827  -0.3782538341   0.4135730749
C   -3.5638278890   1.0414550127  -1.4265520081
C    0.6130109078  -0.0902755959   0.6613920973
C   -3.2150072208  -1.5005527742  -0.3706509348
C   -3.7901453623  -0.0676602347  -2.2248590679
C    3.0380752866   1.1922034670  -1.0250809714
C    1.4730219691  -0.4747400351   1.6894905614
C    0.5663622648  -0.8851349510  -0.4842234071
C   -3.6087855498  -1.3334300455  -1.6873338673
C    2.2974229088  -1.5802127091   1.5656608886
C    1.3744259513  -1.9986758193  -0.6220613203
C    2.2424802028  -2.3327039372   0.4046760087
C    3.8429847381   1.9178275586   0.7364018736
H    0.6656973621   1.9513049779  -1.8641848089
H    0.8234627270   3.4925068293  -1.0555673544
H   -3.7544052282   2.7792541974   0.7692370939
H   -2.6678588802   1.8349886479   1.7780941987
H   -2.6750983824  -0.5089876459   1.4395022567
H   -3.6990871558   2.0286078349  -1.8511651860
H   -3.0738143662  -2.4896174683   0.0430032922
H   -4.1036178915   0.0551506815  -3.2525369691
H    2.8445715215   0.6891966058  -1.9589415081
H   -0.1258470750  -0.6257325521  -1.2753426902
H    2.9703146532  -1.8490274848   2.3679804157
H    1.3229026841  -2.5959858493  -1.5216069690
H    4.5255609460   2.0851720695   1.5542672031
*