! 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   -1.3073963727   0.8371684728   1.1006290752
O   -2.3059327092  -0.0560107280  -2.4198693231
N   -1.8024267043  -0.1520431378  -0.1835951590
C    2.0223375825  -2.1909543782  -0.4794979556
C    0.5694527187  -1.9446668116  -0.8812624338
C    2.5961298577  -1.1705760479   0.5038221264
C   -0.4193283721  -2.1584174501   0.2591283979
C    2.6304097833   0.2563388437  -0.0338590165
C   -1.8066364236  -1.5967291052  -0.0135423057
C    3.3295103676   1.2513033059   0.8881912952
C    2.6117567074   1.4718458301   2.2123791288
C   -1.9769086019   0.5036118781  -1.3758613783
C   -1.7236985269   1.9204989978  -1.1712157658
C   -1.3551105341   2.2144054041   0.0853411416
H    2.6413196285  -2.1948075945  -1.3818449039
H    2.1118930168  -3.1933987591  -0.0493346660
H    0.3045938295  -2.6125749833  -1.7053180680
H    0.4774225129  -0.9320165042  -1.2834520659
H    3.6165316269  -1.4740042951   0.7596878880
H    2.0378376317  -1.2024452541   1.4437345798
H   -0.0369920522  -1.7302839497   1.1905088623
H   -0.5311975391  -3.2276869620   0.4548456648
H    1.6124566011   0.6139333373  -0.2225334948
H    3.1348550729   0.2547959267  -1.0057032117
H   -2.4909463868  -1.8567311083   0.7952237794
H   -2.2251488351  -2.0150357161  -0.9279121664
H    4.3541712189   0.9159882447   1.0772816227
H    3.4174739865   2.2096338777   0.3695283773
H    3.1024745243   2.2448347604   2.8053945322
H    1.5791096545   1.7886273057   2.0493867818
H    2.5815068290   0.5675610637   2.8216830436
H   -1.8182388189   2.6434756427  -1.9670615196
H   -1.1132755650   3.1839986828   0.4957003514
*