! 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   -0.8787550895   1.4040906054  -0.9784416871
O   -3.3595143953  -0.9230850832   0.6390689202
N   -1.7405355855  -0.0318651498  -0.7200723679
C    1.7193379560  -2.4130200589   0.7197606449
C    0.2734233485  -2.0334378650   0.3742981222
C    2.5749526516  -1.2615895220   1.2443256562
C    0.0598904874  -1.7014131120  -1.0979256262
C    2.7533636194  -0.0905049918   0.2870618391
C   -1.3527586829  -1.2424394026  -1.4259308967
C    3.6602539276   1.0001209487   0.8425793936
C    3.8138639738   2.1765172003  -0.1091074263
C   -2.6649091155   0.0294715491   0.2910472089
C   -2.6655506335   1.3747623879   0.8423864649
C   -1.7667543849   2.1837875955   0.2606007831
H    2.2017108823  -2.8601079606  -0.1561844322
H    1.7111009271  -3.1956481211   1.4820048599
H   -0.0343180126  -1.1909237815   1.0032148697
H   -0.3962711429  -2.8574509530   0.6347442343
H    3.5615250508  -1.6535911717   1.5123297034
H    2.1349320096  -0.8932493758   2.1776686591
H    0.2532163425  -2.5911047557  -1.7030170337
H    0.7809047836  -0.9534654598  -1.4391667508
H    1.7800325620   0.3527253111   0.0532221746
H    3.1601447509  -0.4515533220  -0.6643264368
H   -2.0788649405  -2.0052897115  -1.1473258757
H   -1.4608271763  -1.0782963466  -2.4994483204
H    3.2577111231   1.3534204276   1.7970080038
H    4.6445300321   0.5777696285   1.0667919200
H    4.2478541869   1.8633333103  -1.0605768884
H    2.8485140330   2.6381746899  -0.3267325664
H    4.4602918300   2.9502865065   0.3071500167
H   -3.3254408514   1.6675892167   1.6444682550
H   -1.5666630027   3.2213801812   0.4835567676
*