! 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   -1.8496563160   0.6553748960  -1.6345091984
O   -2.1209250591   0.1129087073   2.0840642046
N   -2.0136019596  -0.2103992247  -0.1843941674
C    2.0182603759  -2.0012256496  -0.1647747852
C    0.6349025398  -1.5670542936   0.3043483928
C    3.1571175460  -1.5592002857   0.7517936237
C   -0.4711526469  -2.1149194090  -0.5860369951
C    3.2339032023  -0.0577309126   1.0198701928
C   -1.8679301679  -1.6567052008  -0.1917307353
C    3.3699198588   0.7998925987  -0.2321794901
C    3.5178672976   2.2793179813   0.0908925171
C   -2.0531199708   0.5678680210   0.9443559036
C   -2.0097545695   1.9666493645   0.5492804494
C   -1.8951520297   2.1368632499  -0.7768914457
H    2.1854699566  -1.6234380250  -1.1783057910
H    2.0433209105  -3.0920758642  -0.2475854633
H    0.5837119174  -0.4739612220   0.3184285662
H    0.4714886701  -1.8945580981   1.3366320842
H    4.1044150595  -1.8911938688   0.3155908614
H    3.0661864535  -2.0821288659   1.7087308884
H   -0.4696533816  -3.2074716420  -0.5538948496
H   -0.2743907242  -1.8452048249  -1.6288102542
H    4.0905124098   0.1335386969   1.6738815854
H    2.3545682521   0.2673885822   1.5853609633
H   -2.1154198274  -1.9962789211   0.8129853412
H   -2.6138679530  -2.0843412415  -0.8630882922
H    4.2341984816   0.4615006758  -0.8123100844
H    2.4986465237   0.6605676907  -0.8786494403
H    2.6475573077   2.6539238780   0.6333307002
H    4.3957533209   2.4633720194   0.7131730184
H    3.6240056438   2.8802009419  -0.8132037953
H   -2.0553370808   2.7701485846   1.2681971326
H   -1.8412896150   3.0678934985  -1.3215915272
*