! 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    1.3436217951   0.8453287935   0.4866116713
O    1.4785370150   1.2288461285   1.8789601825
O    1.2758080808   1.8611096282  -0.5461469202
O    4.0050109054   2.0928661070   0.9269402534
O    4.8326331765   0.8602417529   2.6039836092
O   -3.3606383742   1.3660811728  -2.2581913004
O    0.2983120259  -1.5098023098   1.9572051394
N   -0.0630692703  -0.0115400210   0.2872447557
N   -1.7463291230  -1.4448798850   1.0012305722
N   -3.9314400655  -1.5423006146   0.3820687634
N   -2.4870894592  -0.0063590583  -0.6642878629
N   -4.7477363102  -0.0806996068  -1.3061640698
N   -6.1179037037  -1.5892765824  -0.2866417606
C    2.6171254297  -0.3383484330   0.1144246747
C    3.8756185485  -0.2091075207   0.7042069033
C    2.3308070209  -1.4011424360  -0.7262630959
C    4.8277726696  -1.1913352003   0.4719687712
C    3.3049744593  -2.3571599376  -0.9740995785
C    4.5459626761  -2.2589849888  -0.3674209761
C    4.2765296548   0.9582992110   1.5394145209
C   -0.4476486114  -1.0126379436   1.1419203903
C   -2.7610008379  -0.9735298372   0.2030062172
C   -4.9064562425  -1.0626598027  -0.4043469944
C   -3.5301740129   0.3991401622  -1.3828298386
C   -2.0636813343   1.9690066378  -2.4097673828
C    4.2430715111   3.3086135812   1.6425926579
C   -2.1853083749   3.0497191324  -3.4523670100
C   -6.4676898225  -2.6245700181   0.6559449910
H    1.3558496111  -1.5075837996  -1.1810950661
H   -0.7720678588   0.3454324568  -0.3746165495
H    5.8033115766  -1.1103507689   0.9319572511
H    3.0810991781  -3.1850224285  -1.6318356354
H    5.3007896242  -3.0115852210  -0.5473885646
H   -1.7396191757   2.3898958525  -1.4559866080
H   -1.3408521365   1.2122300861  -2.7203127582
H   -6.8424017938  -1.1987840376  -0.8658650292
H    3.6832548753   3.3317041353   2.5765969700
H    5.3039950048   3.4429542623   1.8475860450
H    3.8966683840   4.1068847468   0.9940584022
H   -2.8858096308   3.8264996814  -3.1466324857
H   -1.2106225586   3.5159581895  -3.5920106229
H   -2.5035969719   2.6481158592  -4.4141422690
H   -5.8528360977  -3.5130113458   0.5261865649
H   -7.5024210123  -2.9009003129   0.4806310397
H   -6.3755708472  -2.2878489800   1.6881309457
H   -2.0059471674  -2.1910167703   1.6335775764
*