! 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   -3.4651693004  -0.4633901295   0.7516911669
O   -1.9969345807   1.2890991446  -2.2385837466
N   -2.3162775404  -0.0829805749  -0.4331178301
C    2.1492498145  -0.1416104865  -0.4252251868
C    1.2967474310  -0.3329241298   0.8253362592
C    3.5950192353  -0.6038859270  -0.2637357990
C   -0.1269766635   0.1978279616   0.6930350877
C    4.3989270071   0.2130173141   0.7429427009
C   -0.9555109195  -0.5792777152  -0.3194864426
C    5.8875233535  -0.1211547583   0.7627912070
C    6.1930303586  -1.5475539399   1.1976205033
C   -2.7206373828   0.8596345222  -1.3416848186
C   -4.0976447855   1.2238623796  -1.0552411685
C   -4.5923047653   0.6017454481   0.0269868740
H    2.1369493684   0.9161113521  -0.7111271759
H    1.7045330628  -0.6861213791  -1.2630781405
H    1.7651512517   0.1749060136   1.6715541849
H    1.2688856383  -1.3956493505   1.0896263669
H    4.0919252740  -0.5476962084  -1.2377744227
H    3.6020337578  -1.6618404239   0.0171627518
H   -0.1043533739   1.2532471960   0.4065095426
H   -0.6187449941   0.1493584615   1.6684608387
H    3.9935130872   0.0759406223   1.7503132440
H    4.2772941869   1.2761259058   0.5103956684
H   -0.9921779722  -1.6382782339  -0.0564209603
H   -0.5230385297  -0.5225262073  -1.3172356567
H    6.3124132963   0.0575466228  -0.2299377150
H    6.3952509878   0.5731799683   1.4375490594
H    5.8077836100  -2.2841363612   0.4913112604
H    7.2679593243  -1.7133683547   1.2808936938
H    5.7513426811  -1.7654154121   2.1724495131
H   -4.6441911674   1.9335373493  -1.6570695903
H   -5.5812813092   0.6975435077   0.4503806670
*