! 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   -1.6096416244   0.3501541590   1.6131194194
O   -2.2285623001   1.3083625628   2.5045349852
O   -1.4593169350  -1.0320706540   2.0337387903
O   -1.6189365940  -2.8620638354  -0.8014891813
O   -0.6339622020   2.8736454746   0.4342886971
O   -0.0080918428  -1.3106413041  -0.7900972177
N   -0.0643373626   0.8367185049   1.2676136635
N    1.4657917523   2.1173685517   0.0908509114
N    3.5185242456   1.5515594898  -0.7230444393
N    2.3750275956   0.0699786685   0.7186968452
C   -2.4925294013   0.3707785874   0.0746193330
C   -2.2838121218  -0.6299114648  -0.8766671858
C   -3.4761208430   1.3305977036  -0.1008060427
C   -3.0848108513  -0.6489638070  -2.0094603870
C   -4.2551750748   1.3082829613  -1.2482649915
C   -4.0603301135   0.3205273046  -2.1983545008
C    0.1954183455   1.9997182106   0.5915810642
C   -1.1709858379  -1.6234731430  -0.7925337508
C    2.4932100224   1.1915191961   0.0363889247
C    4.5124927813   0.6774277895  -0.8280200808
C    3.3543975925  -0.8310053627   0.5984744048
C    4.4602674143  -0.5551634102  -0.1801223572
C    5.6862746578   1.0441714801  -1.6692829241
C    3.1892566324  -2.1088299705   1.3438773665
C   -0.6388924005  -3.9072440933  -0.8209146566
H   -3.6497356144   2.0893031741   0.6480216606
H   -2.9385290370  -1.4129742811  -2.7611475631
H   -5.0188630850   2.0601524907  -1.3887219094
H   -4.6696329459   0.2959311323  -3.0910915780
H    1.6372369464   2.9770623295  -0.4125501747
H    5.2625325439  -1.2717104195  -0.2849216913
H    6.5948899280   1.0668968184  -1.0660997664
H    5.8429897912   0.3003440878  -2.4512759974
H    5.5542422250   2.0173665886  -2.1352482938
H    3.9526922820  -2.8341321744   1.0733892105
H    3.2522193767  -1.9314836325   2.4193085619
H    2.2068027986  -2.5397076817   1.1456589379
H   -1.1981559288  -4.8373117427  -0.8336166403
H   -0.0111923257  -3.8738572780   0.0695047994
H   -0.0134837934  -3.8456298407  -1.7110411584
H    0.6909499090   0.1262739219   1.2716157643
*