! 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   -3.8157488506   1.8095203838  -1.3107816768
S   -0.4793199991   0.9580121635  -1.0080411095
O   -5.0824017116   2.3978425077  -0.8812242241
O   -2.8218450690   2.6988621352  -1.9027552340
O   -1.0345004320   0.5204237620  -2.2690573376
O    0.1471137587   2.2581060729  -0.8832129696
O   -0.6592835127  -1.9402277943  -0.6750162116
O    5.4672775369  -3.4812373853   1.8282263457
O    4.6386279973   0.9997520394   0.9451771485
N   -1.1935068507   0.4015005732   1.4361488833
N    0.6847373238  -0.1145108657  -0.5370852522
N    1.4323539906  -2.2094035446   0.1285199160
N    3.4413774638  -2.8498441733   0.9779155367
N    3.0267855034  -0.5691259690   0.5366823668
C   -3.0739063784   1.0723049030   0.1416589046
C   -4.1921912317   0.4365080400  -2.3916525041
C   -1.7204867346   0.7918796530   0.3005971508
C   -3.9017814929   0.8667617649   1.2371428121
C   -4.6457560619   0.9432850104  -3.7478639947
C   -3.3533337665   0.4196658322   2.4249586153
C   -1.9863499686   0.2211432684   2.4846732055
C    0.4114211599  -1.4502386516  -0.3818435112
C    2.6907088176  -1.8470680267   0.5636411002
C    4.6573099871  -2.5290449552   1.3984570643
C    4.2505379266  -0.2636659710   0.9579859375
C    5.1369667294  -1.2245918750   1.4108233699
C    5.0084625199  -4.8316056079   1.8374252788
C    3.7363711279   1.9954062754   0.4664187975
H   -4.9709916668  -0.1322374216  -1.8828004067
H   -3.3037844481  -0.1858840408  -2.4675445828
H   -4.9633872320   1.0586590350   1.1707369732
H   -3.8580875569   1.4953062399  -4.2567795865
H   -5.5311694535   1.5728059641  -3.6770525296
H   -4.8999967929   0.0832476794  -4.3648300572
H   -3.9733961717   0.2470451769   3.2918490864
H    1.5671265685   0.2370985593  -0.1376159716
H   -1.5082321794  -0.0940744355   3.4020771554
H    1.2181400831  -3.1951314537   0.2045828758
H    6.1317322616  -0.9777125668   1.7510955357
H    4.7557539599  -5.1788976723   0.8363333032
H    4.1477041499  -4.9597433730   2.4927343664
H    5.8384986204  -5.4190819996   2.2194691228
H    2.8359990980   2.0506689638   1.0789963960
H    3.4699851078   1.8276437917  -0.5773980309
H    4.2708350536   2.9376882542   0.5440391769
*