! 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  -4.7146403445  -1.2549931739  -1.2786873930
S   -1.8974283627  -1.0562912876   0.9174473981
O   -2.7120638217  -2.2452454095   0.8403405056
O   -1.6182130126  -0.4492492848   2.2013846819
O   -1.1473361192  -2.1110283572  -1.7259147721
O    3.3464697314  -0.3984936232   2.2933413285
O    5.6375367373  -2.2532701364  -1.2933409376
N   -2.0855308266   1.3673422884  -0.3224231320
N   -1.0089928167   1.8580160008   0.2773806726
N   -3.8470628053   1.2017590905  -1.6691371496
N   -0.3974134658  -1.3451309390   0.2760601052
N    1.0839948666  -1.9948028089  -1.3891223727
N    2.2013006996  -1.1769910399   0.4756107187
N    3.3554393774  -2.1245314325  -1.3509211840
C   -2.5990011271   0.1070337640  -0.1508767868
C   -0.6911046304   3.0815215655  -0.0427743602
C    0.4987607392   3.6790691993   0.6336914589
C   -2.8708858828   1.9963932274  -1.2451592259
C    0.1000731610   4.7312392065   1.6705770129
C   -1.4412462565   3.8505181884  -0.9768740383
C   -2.5313030816   3.3148099283  -1.5847079317
C   -3.6761300999   0.0569228832  -1.0155210940
C    1.3153700140   5.3485577480   2.3423206580
C   -0.2216830569  -1.8362271438  -0.9919247782
C    2.2617093878  -1.7515527658  -0.7134629919
C    3.3562060356  -0.9660055333   1.0986177734
C    4.4997645244  -1.9032822716  -0.7184654161
C    4.5719287227  -1.3169937322   0.5401059551
C    2.0951805828  -0.0422072936   2.8763142409
C    5.6073508883  -2.8580131549  -2.5847776010
H    1.0766619036   2.8865554479   1.1121630392
H    1.1426932653   4.1370958657  -0.1215166436
H   -0.5467031223   4.2700284553   2.4207112000
H   -0.4913730513   5.5163198305   1.1921117001
H   -1.1252091473   4.8593211426  -1.2022436809
H   -3.1239017513   3.8553536942  -2.3082088440
H    1.9135922813   4.5927315194   2.8537888472
H    1.9603255857   5.8455456916   1.6158711252
H    1.0193629894   6.0913320977   3.0833305159
H    1.1913825456  -2.3952506833  -2.3117912709
H    5.5109283704  -1.1491148250   1.0464047539
H    1.5645966677   0.6963932412   2.2739233933
H    2.3335570895   0.3980414674   3.8400866318
H    1.4608199703  -0.9145881871   3.0349981627
H    5.1657134732  -2.1967760859  -3.3293153806
H    5.0665830720  -3.8036592588  -2.5745223152
H    6.6458812154  -3.0436128610  -2.8438156486
H    0.4415584689  -1.0448015250   0.7944276199
*