! 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    2.2784676792  -0.9272319871  -1.4950605969
O    3.3475211585   0.4267364378   1.1244703316
O   -0.2560152953   0.6790571037  -1.7916851677
N   -0.8610603269  -0.0595924930   0.2770168313
C    3.6737109844  -1.4068697042  -0.4574787646
C    4.2536358568  -0.1871837127   0.2171899576
C    1.4601509087   0.0812805991  -0.2940912990
C    2.0505019834   0.6050143702   0.7938017584
C    0.0384609834   0.2914625802  -0.6707850836
C    1.3776171695   1.4695154031   1.8105777785
C   -2.2593377475   0.0130203711   0.2512990508
C   -3.0032607377   0.5846941943  -0.7809086368
C   -2.9260939685  -0.5261944346   1.3541278913
C   -4.3893777840   0.6065222249  -0.6928291866
C   -4.3073207173  -0.4978005843   1.4263989410
C   -5.0517028809   0.0700865785   0.4005333939
H    4.4250075969  -1.8523278300  -1.1086388964
H    3.3682161481  -2.1575310140   0.2723201929
H    5.1197947106  -0.4655292397   0.8167848035
H    4.5771609290   0.5409408433  -0.5297422123
H    1.9953699927   2.3463839309   2.0084082706
H    1.2531301801   0.9395026474   2.7571414186
H    0.4033774389   1.8252146041   1.4897646677
H   -0.4749859347  -0.4644769119   1.1169114794
H   -2.5242705163   1.0119181465  -1.6460046381
H   -2.3561032783  -0.9707517219   2.1615988724
H   -4.9541276085   1.0533091355  -1.5005924895
H   -4.8012122913  -0.9224433021   2.2902641843
H   -6.1317146600   0.0928420654   0.4540096837
*