! 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   -2.4340986108   1.8786433489  -0.0219992476
O   -3.3068943445  -1.7402797055  -0.5895859247
N   -2.2532555172   0.1954920577   0.0374946518
C    2.5762417023  -0.7572470087  -0.9276904477
C    1.4050509092  -0.9108064164   0.0349458086
C    3.8275120463  -1.5265121464  -0.5115874859
C    0.1295877078  -0.2671019517  -0.4922632742
C    4.4125893722  -1.1426256178   0.8453806918
C   -1.0098692772  -0.3883641660   0.5078407382
C    4.8415947023   0.3154148658   0.9535851423
C    5.5259299531   0.6253651929   2.2766646614
C   -3.2891363481  -0.5130799906  -0.5146262613
C   -4.3102997591   0.4218982694  -0.9562239475
C   -3.9703713107   1.7055312136  -0.7593919537
H    2.8078886687   0.3055445731  -1.0486930575
H    2.2699968615  -1.1073218303  -1.9182846494
H    1.6559680274  -0.4679318827   1.0038746676
H    1.2249114221  -1.9748780020   0.2230652387
H    4.5959052431  -1.3886075759  -1.2787784280
H    3.5964018585  -2.5963583144  -0.5063726026
H   -0.1644258731  -0.7382245082  -1.4342582000
H    0.3177763606   0.7884358290  -0.7129548990
H    5.2806003548  -1.7808649895   1.0392789058
H    3.6969718310  -1.3693233235   1.6426752124
H   -0.7420339536   0.0782277762   1.4575573629
H   -1.2192726250  -1.4353700391   0.7242442939
H    5.5177809763   0.5556699696   0.1267865980
H    3.9742306647   0.9711732617   0.8346621492
H    4.8633620412   0.4276910410   3.1217111490
H    6.4201330934   0.0137550702   2.4123210631
H    5.8309075501   1.6709776142   2.3375002098
H   -5.2366536116   0.0946520141  -1.4032455102
H   -4.5448193639   2.5875112856  -1.0017790016
*