! 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   -2.3507355934  -1.5791621373  -0.1928690319
O   -1.5219700079   0.9140576275   1.1047837749
O   -2.1119002723  -2.0046666752   1.1735807072
O   -3.0213268938  -2.4886622458  -1.1007493058
O    1.2882752559   1.5985885995   1.7473212043
O   -1.5049181634  -0.3629225191  -2.7535403674
O    2.8989657011  -1.7228338329   1.5070407732
O    5.0051364549   0.8175226795  -1.5475251967
N   -0.8259474349  -1.2494956098  -0.7774607235
N    0.6649084730  -0.1388308912  -2.1751664348
N    2.8625941885   0.3597567712  -1.8605779021
N    1.7298117924  -0.9770999209  -0.2925924376
N    4.0097159389  -0.5067368828   0.0147631393
C   -3.1932417681  -0.0361340158  -0.2339515279
C   -2.6895797857   1.0654396704   0.4738830391
C   -4.3834644251   0.0436591001  -0.9441613491
C   -3.4260001612   2.2486351230   0.4543218891
C   -1.0727449891   1.9770844029   1.9426351262
C   -5.1052032855   1.2232120935  -0.9498270820
C   -4.6188385205   2.3160199361  -0.2481731896
C    0.2005925015   1.5902107606   2.6394136408
C   -0.6239508793  -0.5812442981  -1.9500154055
C    1.7897408602  -0.2579381339  -1.4071474455
C    2.5199468549   1.5954455530   2.4297851161
C    2.8615252630  -1.0520393177   0.3827476150
C    3.9404193365   0.1958054380  -1.1011499673
C    1.6884665955  -2.2893198594   2.0132325795
C    6.2156252058   0.7575831564  -0.7914207076
H   -4.7506824399  -0.8125182079  -1.4910423508
H   -3.0809699838   3.1264019688   0.9807514421
H   -0.0315170647  -1.3307415446  -0.1306167489
H   -1.8281567955   2.1894261680   2.7036389351
H   -0.9144624133   2.8865505472   1.3565514519
H   -6.0338824757   1.2868981167  -1.4983114681
H   -5.1707648330   3.2461729755  -0.2468783608
H    0.3485692500   2.3314818028   3.4362255556
H    0.0895391709   0.6155568320   3.1341252380
H    0.7804653118   0.3793713313  -3.0367793483
H    3.3182730476   1.6497547642   1.6914893674
H    2.6162689544   2.4609809943   3.0962640471
H    2.6636222963   0.6934779304   3.0350681828
H    0.9409585042  -1.5202286406   2.2103493530
H    1.9589916395  -2.7677051865   2.9493611394
H    1.2820050380  -3.0372381063   1.3334130913
H    6.5874754942  -0.2625637401  -0.7126721996
H    6.0830250881   1.1761458631   0.2052988930
H    6.9314105907   1.3604942153  -1.3418343786
*