! 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   -3.1768516298  -0.5798877377  -1.2135387698
O   -2.1615444833   1.9019961125   1.4321356496
N   -2.2564920684   0.0762834139   0.0510699417
C    2.0783709098  -0.3972338288   1.0870080624
C    1.4258099425  -0.9757201505  -0.1642551385
C    3.3473368021  -1.1321487912   1.5155636254
C    0.1204900271  -0.2918557178  -0.5610530994
C    4.4699136621  -1.1728522526   0.4810914515
C   -1.0009219321  -0.5423967086   0.4379919791
C    4.9556768047   0.1988852710   0.0294553581
C    6.1473693195   0.1154971471  -0.9129746330
C   -2.7248038621   1.2665499819   0.5428374758
C   -3.9549944773   1.6076387784  -0.1528740650
C   -4.2890720327   0.7178284150  -1.1007107715
H    1.3757501300  -0.4296824333   1.9246453434
H    2.2924860877   0.6635553740   0.9222104115
H    1.2461305289  -2.0473617931  -0.0231956859
H    2.1167980134  -0.8956417219  -1.0074041576
H    3.0832667532  -2.1584804323   1.7889618978
H    3.7282753276  -0.6660380811   2.4294970983
H   -0.1880197234  -0.6609199411  -1.5431964160
H    0.2780489685   0.7852142762  -0.6672725412
H    4.1580490492  -1.7523041600  -0.3937499523
H    5.3131423519  -1.7225278974   0.9115267749
H   -0.7551295717  -0.1433607532   1.4205699565
H   -1.1647692070  -1.6141252505   0.5684343034
H    4.1433595821   0.7383150857  -0.4659489001
H    5.2243009606   0.7949967593   0.9073449471
H    6.4827913408   1.1053901595  -1.2253350921
H    6.9946422236  -0.3836438150  -0.4387198124
H    5.9002045679  -0.4465953419  -1.8156973846
H   -4.5223487172   2.4954337802   0.0810237657
H   -5.1471840231   0.7400485501  -1.7564750231
*