! 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  -5.1989109071  -0.3018107523   0.8713839284
S   -2.0763491464  -1.5946567336  -0.2769074630
O   -1.7904544399  -1.8262673235  -1.6778528913
O   -3.0049935697  -2.4494561306   0.4207833577
O   -1.2794899725  -0.9749448842   2.5006513501
O    3.0624655174  -1.6918880241  -1.9718704815
O    5.3720465788   0.0762008278   1.6428342039
N   -1.8421331671   1.1331084098  -0.2963315276
N   -0.5775668014   1.1145824562  -0.6896297605
N   -3.8101334661   1.8920943036   0.4066414687
N   -0.5815520571  -1.6349751090   0.4400829645
N    0.9274827297  -0.8703472806   2.0320162367
N    1.9826912699  -1.3128338714   0.0075257894
N    3.1441402052  -0.3957514031   1.8451272802
C   -2.6187245413   0.0346118720  -0.0348159895
C   -0.0051296513   2.2792219613  -0.8274309567
C    1.4222597923   2.2725167759  -1.2734861536
C   -2.5969095499   2.2360855569  -0.0099458243
C    1.5556820907   2.1059600044  -2.7879856624
C   -0.6926282877   3.5008145827  -0.5921389318
C   -1.9888727187   3.4879835378  -0.1811690315
C   -3.8193631329   0.5626945846   0.4000502056
C    3.0093537351   2.0044612642  -3.2181992570
C   -0.3772405192  -1.1522129215   1.7100454828
C    2.0636374468  -0.8632454234   1.2482084368
C    3.0963045994  -1.2738048099  -0.7186547170
C    4.2499433040  -0.3768446794   1.1131985860
C    4.2946456295  -0.8087773790  -0.2078377997
C    1.8160571566  -2.1005571213  -2.5312212532
C    5.3683041036   0.5416793980   2.9905652135
H    1.9000956186   3.2029214728  -0.9625819547
H    1.9504608934   1.4616964123  -0.7676049059
H    1.0761000607   2.9504716369  -3.2889688891
H    1.0127929773   1.2111744858  -3.1030780378
H   -0.1671381900   4.4343126466  -0.7333277487
H   -2.5459854654   4.3904028055   0.0242036490
H    3.4921719200   1.1286649371  -2.7800803836
H    3.0932688447   1.9172896756  -4.3014709394
H    3.5793209047   2.8829513359  -2.9116766284
H    1.0562678753  -0.5270315581   2.9748953064
H    5.2007594041  -0.7801013361  -0.7947166451
H    2.0350195176  -2.3946040422  -3.5535382889
H    1.0974422112  -1.2801769644  -2.5480258672
H    1.3935759239  -2.9537869625  -2.0009081390
H    6.3905694223   0.8457811020   3.1967926587
H    5.0811122117  -0.2437945031   3.6884597990
H    4.7075011714   1.3983707898   3.1180881756
H    0.2397592256  -1.6248065389  -0.1855819506
*