! 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   -1.7375208379  -0.4224653612  -1.9699386374
S   -3.6744764005   1.3335733963   1.4106881353
O   -2.4109921650  -1.5731916131  -2.5339686733
O   -1.3783455348   0.6755378167  -2.8407632196
O   -1.2210356755   2.6923821152   1.4658346881
O   -1.2830465411  -2.4346598474   0.1133198719
O   -0.2651809309   1.8756118152  -0.3895234882
O    5.1584823397  -1.1297478043   1.7945773500
N   -0.3152973495  -0.9088019026  -1.2636883991
N    0.8965744082  -1.9486607308   0.4291406605
N    2.1926159559  -0.3738182932  -0.6846947782
N    3.0225603758  -1.5820550862   1.1526509844
N    4.3740476293   0.0238184425   0.0698186410
C   -2.7340682066   0.1400936559  -0.6240403630
C   -2.4057075986   1.1200145819   0.2830611413
C   -4.0086353746  -0.4270830321  -0.4037331052
C   -4.6295110821   0.1402276842   0.6682652508
C   -0.3063719891  -1.8039112963  -0.2288262787
C   -1.1791292468   1.9224849692   0.3931909149
C    2.0756711244  -1.2693225685   0.2790299359
C    3.3645860587   0.2621741630  -0.7442066324
C    4.1436990051  -0.9080064511   0.9935124642
C    3.5168551291   1.2859040327  -1.8075302183
C   -0.0850608256   3.5235209246   1.7242781953
C    5.0162300936  -2.0788147940   2.8525698478
H   -4.4461423715  -1.2121000738  -0.9997465414
H    0.5322536023  -0.3370794415  -1.4086712040
H   -5.6075577721  -0.0990968430   1.0569385627
H    2.6495310760   1.9453430078  -1.8256308461
H    4.4187626261   1.8746922711  -1.6690373160
H    3.5675749590   0.7958886898  -2.7818799530
H    0.0772853829   4.2329836789   0.9141760789
H   -0.3153611118   4.0631246048   2.6372868448
H    0.8122130331   2.9242948052   1.8732747600
H    4.8169605345  -3.0783542964   2.4691915339
H    4.2255914783  -1.7883972947   3.5429172247
H    5.9681722290  -2.0769618223   3.3748399006
H    0.8743684008  -2.6198156283   1.1866160325
*