! 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   -2.4670270285   0.7301683350  -0.9061219472
O    4.7247895789  -0.1041092222  -1.1687899179
O   -2.8257020173   0.5045572294  -2.2885398354
O   -3.0672996864   1.8308957962  -0.1772168030
O    1.2287102434   2.4860200481   0.1865638979
O   -0.1851213506  -0.8664342135  -1.9011289402
O   -1.4548191463   0.9626583267   2.0955739549
O   -3.4692091932   0.8081426704   3.0554412725
N    3.2254232741   1.4127681415  -0.3302156552
N    1.4080811462   0.4973990647  -1.0321270668
N   -0.8247975747   1.0299984171  -0.8221563521
N    2.4260485510  -0.3236192513  -1.4602767881
C   -2.7289156840  -0.7720962106  -0.0037363132
C    3.4825796491   0.2603024079  -1.0202396978
C   -2.8500896087  -0.7646657323   1.3879771558
C    1.8755819752   1.5875984284  -0.3221534843
C    0.0952758994   0.1409731044  -1.3031749101
C    4.9903038407  -1.3676691039  -1.8184940687
C   -2.9309569719  -1.9331814704  -0.7342939627
C    4.7396871156  -2.5512417965  -0.9096544138
C    4.1974247831   2.2859873792   0.2924505704
C   -3.1857391682  -1.9481965495   2.0299739791
C   -3.2339956590  -3.1126537976  -0.0715788535
C   -3.3632426358  -3.1188214943   1.3065813227
C   -2.6490681707   0.4336384279   2.2562937826
C    5.5256447881  -2.4999184385   0.3910665594
C   -1.1417327632   2.1329418946   2.8598493828
H   -0.5205639906   1.8327115178  -0.2678688700
H    6.0426382069  -1.3050483461  -2.0891717818
H    4.4056138508  -1.4327940198  -2.7374482578
H   -2.8678479773  -1.9290944887  -1.8120969735
H    3.6727376569  -2.6592973667  -0.7065102584
H    5.0294518765  -3.4347605458  -1.4839274101
H    3.6718437718   3.1254538651   0.7362321789
H    4.7384207581   1.7604143496   1.0754253703
H    4.8976192923   2.6652444523  -0.4470329215
H   -3.2950551474  -1.9612515549   3.1058657175
H   -3.3813586908  -4.0198262354  -0.6401801192
H   -3.6085449653  -4.0346448345   1.8258612183
H    5.3827961042  -3.4173298162   0.9616743957
H    6.5957277200  -2.3903304263   0.2066443783
H    5.2112309183  -1.6727043988   1.0283742005
H   -1.1738460479   1.9246811402   3.9280497288
H   -1.8226085876   2.9498271422   2.6243749861
H   -0.1315485310   2.4100755115   2.5774422339
*