! 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   -1.2494391294   1.3838297449  -0.6367837766
O   -3.9324839215  -1.2305899957  -0.2814951094
N   -1.9831587812  -0.1367764756  -0.7680788546
C    1.6433389205  -0.8684246584  -0.1231657063
C    0.4528837551  -1.3896853581   0.6722468711
C    2.6985138013  -0.2077726929   0.7543564961
C   -0.5936794144  -2.1187370886  -0.1635914782
C    3.8732462890   0.3421521578  -0.0456268058
C   -1.2479175611  -1.2914153464  -1.2613821190
C    4.9312838597   1.0487385856   0.7966323862
C    5.6767786278   0.1268726861   1.7514534987
C   -3.2627189666  -0.1986400794  -0.2844423563
C   -3.6507872359   1.1205918601   0.1835856110
C   -2.6740318901   2.0331576511   0.0533473240
H    1.3150613388  -0.1454792709  -0.8780032629
H    2.0959536136  -1.6952376384  -0.6812254258
H   -0.0105847641  -0.5650843451   1.2227580972
H    0.8150651377  -2.0831931774   1.4366415779
H    3.0502195155  -0.9324482538   1.4952791103
H    2.2370784796   0.6079878103   1.3221795604
H   -1.3728883796  -2.5175870381   0.4900238708
H   -0.1334165350  -2.9826497543  -0.6518496778
H    3.4909829698   1.0428205989  -0.7947160937
H    4.3443768869  -0.4721007723  -0.6072046889
H   -1.9526778773  -1.9064029145  -1.8203748547
H   -0.5129470607  -0.9421191469  -1.9869850803
H    5.6532628798   1.5263013722   0.1289392900
H    4.4622689553   1.8600815530   1.3620027227
H    5.0152641787  -0.3141197572   2.4983255381
H    6.1560757174  -0.6933511913   1.2127695480
H    6.4579832787   0.6645191065   2.2905973896
H   -4.6284276743   1.3238856933   0.5930160235
H   -2.7042632876   3.0781920049   0.3246074408
*