! 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   -1.7076958303  -1.4294037775   0.4909082131
O   -0.6563020550  -0.6972035956  -0.5315626480
O   -1.3990566214  -0.9723586061   1.8258644996
O   -1.5979231415  -2.8246907757   0.1458688351
N    1.7463852582   2.3463059914   0.6206175604
N   -0.3318282880   1.5214554025  -0.1515715157
N   -3.1889509746  -0.9058346515   0.0664323678
N   -0.0023933801   3.7694998779   0.2234913887
C    1.9629789601  -1.4160302101   0.3796478209
C    2.4602673947  -1.8940730177  -0.9868522789
C    1.4435158996  -0.0095741206   0.3474929358
C    2.8180938830  -3.3754144482  -1.0146247912
C    2.2205572817   1.1120479427   0.6800188419
C    0.1690904479   0.3154262337  -0.0761392529
C    3.9433316378  -3.7615831249  -0.0658103721
C    0.4805119567   2.5118914795   0.2193861095
C    3.6363984412   0.9501099058   1.1288242114
C   -1.2304148217   4.1580783892  -0.4374275903
C   -3.5348938256   0.4709830322   0.4217780264
C   -3.6458710642  -1.2846190009  -1.2715849982
C   -1.1001647874   4.2921953319  -1.9445849661
H    1.1922351657  -2.1015983217   0.7395267697
H    2.7665025658  -1.4842422704   1.1136822803
H    3.3290433768  -1.2984749338  -1.2859389174
H    1.6882099763  -1.7025630317  -1.7360706857
H    1.9250884530  -3.9637415806  -0.7823431775
H    3.1005347269  -3.6459556667  -2.0351006132
H    4.8413613210  -3.1696630595  -0.2545927054
H    3.6684536160  -3.6174166358   0.9799910625
H    4.2122820702  -4.8118894989  -0.1838408831
H    3.6839149124   0.4273431713   2.0859122667
H    4.1164817038   1.9180416334   1.2468054012
H    4.2165579324   0.3618303815   0.4167734772
H    0.6878651610   4.4916767977   0.3548354459
H   -2.0088389271   3.4394863806  -0.1867831272
H   -1.5374720943   5.1102499304  -0.0068027174
H   -3.2559881608   0.6946987018   1.4464265975
H   -4.6158423485   0.5596319370   0.3452384175
H   -3.0732802309   1.1996198992  -0.2456722436
H   -4.7229502636  -1.1395408471  -1.3013268902
H   -3.1922237708  -0.6709953322  -2.0522716574
H   -3.4496561059  -2.3326192972  -1.4742304585
H   -2.0523706643   4.5980148826  -2.3797721698
H   -0.8096315010   3.3490931107  -2.4073261472
H   -0.3563317618   5.0442385847  -2.2097613023
*