! 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   -1.5993222399   1.9140755025   0.4109843713
O   -4.1253788555  -1.0345925880  -0.3107559754
O   -2.3291035390   1.9588344840   1.6567074283
O   -1.1182597866   3.1455647728  -0.1755349280
O   -1.2235635200  -0.9513622507   1.1285818872
O    3.7291007716   2.8608318612   0.6789924712
O    5.5146600828  -1.2270419026   1.9557013827
N   -2.5684061691   1.1009379536  -0.6325606323
N   -0.2169523105   1.0034854723   0.5481791397
N    1.0312009418  -0.8397779385   1.1985834891
N    2.3733788944   1.0336719544   0.9016202690
N    3.2677419968  -1.0450211013   1.5690420959
C   -3.2182837013  -3.1161617295  -0.9071645842
C   -4.4707884000  -3.9067954405  -0.5942125772
C   -3.4514620411  -3.7262799832   0.4578153624
C   -3.3292461893  -1.6506313134  -1.0096916929
C   -2.4472174548  -0.9311127044  -1.9640956466
C   -2.0796972951   0.4124463003  -1.7556733976
C   -1.9868533432  -1.5762791294  -3.1123404801
C   -1.2437078439   1.0515990250  -2.6633975518
C   -1.1688284450  -0.9322204816  -4.0229151792
C   -0.7868418193   0.3793632723  -3.7848469196
C   -0.2127077786  -0.2978996156   0.9767221087
C    2.2769409007  -0.2460143419   1.2193962719
C    3.5842759177   1.5786218959   0.9661864579
C    4.4713193740  -0.4899861490   1.6153861696
C    4.7031186818   0.8497219864   1.3264629019
C    2.5758983728   3.6258723841   0.3339315233
C    5.3230030705  -2.6055874121   2.2638971259
H   -2.4761572386  -3.6053183327  -1.5207018493
H   -5.3950681861  -3.3491992958  -0.5163499640
H   -4.5582633422  -4.8697800591  -1.0784521562
H   -2.8145519211  -4.5614880381   0.7150629457
H   -3.6620974340  -3.0437905424   1.2702575424
H   -2.2862384944  -2.5959244376  -3.3117979127
H   -0.9658848769   2.0854172140  -2.5145521260
H   -3.3255209987   0.6060383660  -0.1574692759
H   -0.8340382470  -1.4503532321  -4.9105555928
H   -0.1438317880   0.8949462721  -4.4850532542
H    1.0163702300  -1.8129507246   1.4740467951
H    5.6872936529   1.2910090537   1.3809372411
H    1.8501412375   3.6477286579   1.1470690667
H    2.1058197177   3.2562221010  -0.5776073195
H    2.9350853086   4.6357101325   0.1577631875
H    6.3074728330  -2.9869512373   2.5200208965
H    4.9364890532  -3.1593235735   1.4089829733
H    4.6551476121  -2.7401865533   3.1138880476
H    0.6945645724   1.4827197375   0.4919640244
*