! 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   -1.6951266620  -1.7142877668  -0.1946358723
S   -3.6382874119   2.0547567395   0.3386361564
O   -2.2453246095  -2.8029871598   0.5844341069
O   -1.5492724695  -1.8779043568  -1.6246648024
O   -1.4851335121   2.8178635284  -1.2950176701
O   -0.8134072283  -0.9840757240   2.5032077169
O   -0.4526344342   0.8452340825  -1.5423810532
O    3.4488441122  -0.7615829696  -2.1238628664
N   -0.1691024497  -1.3610929849   0.3608622577
N    1.3182331596  -0.5103817816   1.9391824958
N    3.4570703070   0.2345787730   1.7039251497
N    2.3287508842  -0.6787120099  -0.1451775382
N    4.5281863775   0.1129119264  -0.3876781578
C   -2.6591505183  -0.2832972632   0.1832595370
C   -2.4350426035   0.9981129232  -0.2626918922
C   -3.8052462173  -0.4024152790   0.9999874493
C   -4.4327402653   0.7962651151   1.1584918855
C    0.0478413724  -0.9617341251   1.6514686674
C   -1.3483757118   1.5192911778  -1.1021540530
C    2.4031446560  -0.3163164850   1.1270143389
C    4.4988433962   0.4305394759   0.8993133241
C    3.4195793008  -0.4406579089  -0.8533210769
C    5.7225645009   1.0194741765   1.4988731316
C   -0.4816225540   3.4772089325  -2.0746897061
C    2.2998326026  -1.3749247307  -2.7126181248
H   -4.1501417390  -1.3198788447   1.4496948921
H    0.5779560046  -1.2020716210  -0.3270769826
H   -5.3273046113   0.9926067535   1.7297223859
H    6.3497342657   1.4869981025   0.7446086197
H    5.4732385964   1.7443879039   2.2705127170
H    6.3046192313   0.2261713628   1.9736471300
H   -0.7744186810   4.5216954798  -2.1092643060
H    0.4983376895   3.3897442184  -1.6069648493
H   -0.4439110183   3.0768263086  -3.0869204561
H    2.5656662206  -1.5606060300  -3.7487180443
H    1.4357897849  -0.7125765501  -2.6793092018
H    2.0638870425  -2.3229073948  -2.2303302815
H    1.4426505820  -0.2164371436   2.8997734532
*