! 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    0.0148903595  -3.0302071586  -0.1138541995
O   -0.6953238792  -3.4891450209  -1.3079465480
O   -1.2416143789  -2.3346261295   0.7685404684
O   -0.4154698601   1.3270679024   0.9853381130
O    2.3022656174  -1.6986020336   1.0873649169
O   -0.8110731872   1.2358078459  -3.4869860110
O    1.9922915960   4.4561115717  -1.6631945889
N   -2.4993842538   0.5154964941   0.6317577381
N    0.7844481675  -1.6229158533  -0.5959478149
N   -0.5753372871  -2.7879933830   2.9105321651
N    2.2625908281   0.1337928340  -0.2346589203
N    0.7369805450   0.6527764305  -1.9092109686
N    2.1498930294   2.2865246821  -0.9608124443
C   -0.9293903571  -1.8861096486   2.0240789693
C   -1.0243963534  -0.5218467729   2.2774313824
C   -1.3000068843   0.5099030035   1.2263014380
C   -0.7032424952  -0.1021859237   3.5619648918
C   -0.3378896894  -1.0391303729   4.5131399121
C   -0.2840589238  -2.3699288388   4.1373249655
C   -3.5980735066  -0.3624198876   0.9745598286
C   -2.7974472390   1.4709510515  -0.4156934456
C    1.8063444727  -1.1010540948   0.1517947670
C    1.6749697957   1.0607507792  -1.0717213463
C    0.1627831281   1.5845113763  -2.6605565712
C    1.5789456269   3.2013065213  -1.7304933216
C    0.5453428598   2.9133927875  -2.6145827787
C   -1.2165420381  -0.1289946888  -3.5393183946
C    3.0354586857   4.7936338305  -0.7515913542
H   -0.7454829878   0.9486938848   3.8159714320
H    0.3874394758  -1.0306590847  -1.3415459316
H    0.0040380403  -3.1320595462   4.8497296230
H   -3.7757091147  -1.1042137196   0.1954807387
H   -3.4311927530  -0.8742846274   1.9172859160
H   -4.5056847110   0.2308993362   1.0877147043
H   -3.5758011583   2.1623616438  -0.0889591974
H   -3.1635749173   0.9523851167  -1.3029056931
H   -1.9179927880   2.0481899836  -0.6789750881
H    2.9902582966   0.5047890748   0.3616937726
H    0.0792746661   3.6713042214  -3.2266957094
H   -2.0279783594  -0.1686116304  -4.2601677065
H   -1.5910656582  -0.4821187517  -2.5771198557
H   -0.4089022343  -0.7781798917  -3.8771076798
H    3.9612679581   4.2693409942  -0.9854828008
H    2.7529807659   4.5847509141   0.2795971291
H    3.1917179316   5.8621727740  -0.8693574425
H   -0.0921166229  -0.7448882827   5.5229756527
*