! 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    1.7941459830   0.7930624326   2.3197156733
O    2.7465217296   1.8594672670   2.5091678833
O    1.3579420895   0.0108759930   3.4547735289
O    3.7710225400   0.0756105299  -1.2229826038
O    1.2963084782   2.4762086188  -0.0732828942
O   -4.0857664812  -0.8356181069  -2.1377254283
O   -3.1163064607  -1.2428284601   2.3812111525
N    2.4205560305  -0.1873691063   1.1526325501
N    2.3166804697   0.7054902919  -2.8176206736
N    0.3630410027   1.3648000474   1.6784983790
N   -0.8459616891   1.7784052874  -0.2652390542
N   -2.4891680127   0.5033500213  -1.1966279290
N   -2.0012426444   0.2954424899   1.1035099614
C    1.5710315973  -0.9711659292   0.3413482004
C    1.6139996760  -0.8516915110  -1.0582811273
C    2.6342732615   0.0294931819  -1.7049357707
C    0.6753515586  -1.8551498397   0.9327133092
C    0.7794958680  -1.6640064098  -1.8227541043
C   -0.1825718529  -2.6125172612   0.1517327200
C   -0.1277548911  -2.5259944037  -1.2298797803
C    3.3629351526   1.4730885058  -3.4700896625
C    0.9722785363   1.0598910790  -3.2313779839
C    0.3413695908   1.9106164288   0.4139119158
C   -1.8226987004   0.8074373098  -0.1011327806
C   -3.3963359878  -0.4570238350  -1.0755314346
C   -2.9096818883  -0.6710884271   1.2076825227
C   -3.6578129784  -1.1027471921   0.1264206582
C   -3.8048040922  -0.2300656738  -3.3981302933
C   -2.3581942017  -0.8126835895   3.5093886309
H    3.2155102263   0.2191165325   0.6625383212
H    0.6621066700  -1.9773750785   2.0064625071
H    0.8403918193  -1.6301577664  -2.9023233869
H   -0.8775885209  -3.2896733912   0.6293915915
H   -0.7747551500  -3.1347652957  -1.8457682961
H   -0.4950893904   0.8752414781   1.9715480140
H    3.5436925336   2.4230175936  -2.9629907617
H    3.0521529740   1.6858757669  -4.4905384145
H    4.2947539535   0.9160592980  -3.5109876375
H    0.8474644561   2.1430461371  -3.1831304345
H    0.7873221984   0.7442479105  -4.2580019781
H    0.2172372644   0.6043335476  -2.6020773324
H   -4.3944467935  -1.8879232099   0.2124115103
H   -2.7689584495  -0.3878433059  -3.6977105716
H   -4.0197750762   0.8378658868  -3.3900226201
H   -4.4608282068  -0.7210542862  -4.1111844287
H   -2.7291318227  -1.3911964664   4.3505176474
H   -2.5006365660   0.2478545198   3.7146235766
H   -1.2958076295  -1.0236389393   3.3845851575
H   -0.8315748651   2.1995640666  -1.1853529693
*