! 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   -2.4912544112  -0.1261014779  -1.2516688657
O   -0.7489120522   1.4238775239   1.7013120893
N   -1.7828418756  -0.0452535938   0.2844708422
C    1.8993763065  -2.3840596777  -0.3679814899
C    0.3991787077  -2.0981975231  -0.3293221790
C    2.7817400300  -1.2283281199   0.1038685477
C   -0.1139095832  -1.7192408172   1.0534632171
C    2.5406255145   0.0796569328  -0.6409897127
C   -1.5607708631  -1.2518935483   1.0731905937
C    3.4488463291   1.2233066448  -0.1997389585
C    3.2110832829   1.6690535927   1.2366779878
C   -1.3020402926   1.1895178618   0.6276023939
C   -1.5717641056   2.1166850517  -0.4578140289
C   -2.1955592535   1.5401573859  -1.4988566054
H    2.1741979630  -2.6480149877  -1.3937217525
H    2.1174525012  -3.2671217928   0.2403445736
H   -0.1425439776  -2.9792355404  -0.6862417463
H    0.1719615719  -1.3033398595  -1.0448708835
H    3.8303555435  -1.5179800260  -0.0186493627
H    2.6443970969  -1.0774614698   1.1781272098
H    0.5087865761  -0.9397092405   1.4952167434
H   -0.0417512091  -2.5806234470   1.7237404590
H    1.5013061211   0.4007298821  -0.5110423456
H    2.6696641687  -0.0931405266  -1.7146165703
H   -1.8831060223  -1.0490101315   2.0947593452
H   -2.2244076929  -2.0276549306   0.6885309718
H    4.4962802749   0.9321445583  -0.3271953887
H    3.2889289045   2.0748596826  -0.8665464467
H    2.1559662674   1.8969458454   1.4066266485
H    3.4995735393   0.9039924122   1.9587414212
H    3.7849581645   2.5662382139   1.4730027802
H   -1.2923796694   3.1580950026  -0.4121258127
H   -2.5145801671   2.0061040306  -2.4194615164
*