! 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    2.3561560909  -0.7487453136  -1.6324732393
S    2.2426247485   0.2024703242   1.1125340119
O    1.0435399243  -1.2253117990  -1.2454645543
O    2.5273248259  -0.0861319245  -2.9096336530
O    2.9489595939   1.1892567332   1.8882911690
O    2.2604191893  -1.1856449454   1.5103081931
O    0.9441239471   2.6903629724   0.2086556225
O   -5.4436512758   0.5510631595  -0.6382787488
O   -2.4381206842  -2.4965734469   1.1581865276
N    2.8199269165   0.3678501507  -0.4505962363
N    0.6427160209   0.5839770714   1.0159771466
N   -1.1328807912   1.8092465953   0.1615784973
N   -3.2876255986   1.1932616370  -0.2301081874
N   -1.7724738908  -0.3593937500   0.6958452081
C    3.9738348959   1.2465031560  -0.6871957729
C    3.5381971075  -2.0544165931  -1.4996072941
C    0.2082804524   1.7564839496   0.4441283253
C   -2.1021408435   0.8273742727   0.2182863891
C   -4.2303471673   0.2609411547  -0.2012517526
C   -2.7244389500  -1.2876108595   0.7075633701
C   -4.0092637924  -1.0301166682   0.2641977156
C   -5.7066773679   1.8578671256  -1.1447182273
C   -1.0993187337  -2.7823683667   1.5610904878
H    4.1878509078   1.2547953668  -1.7511974039
H    4.8597781991   0.9030160520  -0.1591751429
H    3.7315690365   2.2642112073  -0.3982399589
H    3.3158141363  -2.7802685256  -2.2808966784
H    4.5389005341  -1.6533480925  -1.6460156747
H    3.4538053979  -2.5228923962  -0.5229359795
H   -1.4405034551   2.6936619355  -0.2213307963
H   -4.7851600462  -1.7811146381   0.2735006803
H   -6.7494959079   1.8482222575  -1.4486164571
H   -5.5630151759   2.6225979539  -0.3823720978
H   -5.0848851618   2.0877665305  -2.0091220721
H   -0.3973556255  -2.6510857389   0.7376196658
H   -0.7952863029  -2.1728493161   2.4121607187
H   -1.0992832544  -3.8266373925   1.8600629995
H   -0.0434857900  -0.1887778514   1.0581576520
*