! 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
S   -2.2979590405  -1.6358849621  -0.3019141133
O   -1.4898191119   0.6106356818   1.3512792091
O   -2.0937843203  -2.2668938610   0.9888968968
O   -2.9372876793  -2.3916003175  -1.3603861407
O    0.9410931791   2.3075888996   0.6861088677
O   -1.3825524926  -0.1255693092  -2.6749828496
O    2.8493416516  -1.6910901951   1.6984136874
O    5.1711804780   0.6251586853  -1.3778908414
N   -0.7595321227  -1.2181708384  -0.7846539806
N    0.7841955736  -0.0291055955  -2.0521518831
N    3.0037483922   0.3232440010  -1.7078227483
N    1.7596193416  -0.9044578263  -0.1344216156
N    4.0608541244  -0.5760145372   0.2057225986
C   -3.1557724957  -0.1113749736  -0.1142441140
C   -2.6591512094   0.8688070606   0.7575995530
C   -4.3545735250   0.0613569448  -0.7926552819
C   -3.4100440921   2.0292142664   0.9342049468
C   -0.8792467271   1.5982691887   2.1791096618
C   -5.0914106124   1.2160659257  -0.6021113520
C   -4.6129267004   2.1879569193   0.2641445114
C   -0.2088869218   2.7081792739   1.3931589147
C   -0.5226164080  -0.4429436407  -1.8821436307
C    1.8829827852  -0.2089227484  -1.2606085043
C    2.0824806775   2.1836776649   1.5013366363
C    2.8745583238  -1.0434373769   0.5593767791
C    4.0569608050   0.1000719606  -0.9291935505
C    1.6034771183  -2.2084425330   2.1721447428
C    6.3726491458   0.4644062968  -0.6217574065
H   -4.7157530244  -0.7025708586  -1.4661214680
H   -3.0780194194   2.8185319685   1.5931556550
H    0.0059836992  -1.3334718743  -0.1088337389
H   -0.1568099506   1.0506642798   2.7844828422
H   -1.6053137420   2.0230021344   2.8762675366
H   -6.0266841152   1.3539533528  -1.1251524270
H   -5.1794415885   3.0954360844   0.4233215691
H   -0.8960592428   3.1329208835   0.6577007685
H    0.0268949061   3.5105611229   2.1046030840
H    0.9400969303   0.5170118397  -2.8899036781
H    2.9524736280   2.0908309430   0.8527357435
H    2.2328858085   3.0707715149   2.1271605700
H    2.0488399933   1.3130509167   2.1655686019
H    0.8783665769  -1.4117934402   2.3409026931
H    1.8277900033  -2.6883749689   3.1195394136
H    1.1920794855  -2.9477482022   1.4862363700
H    6.6477808535  -0.5848869554  -0.5288931365
H    6.2831453286   0.9079822534   0.3686299996
H    7.1400026060   0.9895267853  -1.1823003200
*