! 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   -2.4613837505   0.7874676401  -1.0528573701
O    4.6884707959  -0.2725726677  -1.0974195730
O   -2.8838779715   0.5432917695  -2.4139832050
O   -3.0323676375   1.8916773516  -0.3050791617
O    1.2644018394   2.5535700116  -0.0688407145
O   -0.2194837543  -0.8879235169  -1.9622810637
O   -2.9879927353   0.8731929326   2.9506019747
O   -1.0212682381   1.0049603005   1.8902355949
N    3.2283410109   1.3638087730  -0.4309496619
N    1.3968485055   0.4678531932  -1.1222181536
N   -0.8197928237   1.1030354289  -1.0476243842
N    2.3930447529  -0.4234492410  -1.4500598432
C   -2.6684108251  -0.7028223002  -0.1177674959
C    3.4584666342   0.1517820507  -1.0204784607
C   -2.5777098982  -0.6871422865   1.2757595797
C    1.8866217415   1.5927487140  -0.4825117386
C    0.0825179327   0.1465726660  -1.4219111746
C    4.9154886217  -1.6060646363  -1.6065775257
C   -3.0351780735  -1.8510603664  -0.8009463491
C    4.6080379944  -2.6732737862  -0.5790817591
C    4.2192886217   2.2498796005   0.1416363936
C   -2.8591087849  -1.8537854879   1.9720312014
C   -3.2972537611  -3.0120925977  -0.0895370199
C   -3.2089149239  -3.0123866434   1.2920473861
C   -2.1040934019   0.4989599127   2.0505262296
C    5.3962421025  -2.5220240781   0.7125473017
C   -2.6294516435   1.9633503075   3.8094228477
H   -0.5098552274   1.9060035851  -0.4966602928
H    5.9727138987  -1.6109498752  -1.8653508220
H    4.3403072366  -1.7484261079  -2.5226318972
H   -3.1254312625  -1.8516088731  -1.8771114540
H    3.5368380084  -2.7057082493  -0.3711519454
H    4.8532324941  -3.6265483663  -1.0540196099
H    3.7167948805   3.1396954258   0.5076528710
H    4.7275656852   1.7695909427   0.9743318811
H    4.9457295402   2.5450453334  -0.6111618378
H   -2.7940753831  -1.8670167568   3.0515950499
H   -3.5765389771  -3.9106279648  -0.6211512115
H   -3.4161460717  -3.9149275545   1.8498592513
H    5.1975101263  -3.3577332379   1.3832907337
H    6.4709481452  -2.5001673657   0.5230739625
H    5.1340256075  -1.6093826029   1.2492258407
H   -3.4832621212   2.1187404237   4.4609683912
H   -2.4411937976   2.8694073221   3.2355072850
H   -1.7537562828   1.7200104867   4.4093178724
*