! 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   -2.4472355615  -1.4421789780   0.8009865340
O   -1.4609752625   1.2826463417   0.9150529826
O   -2.0979601334  -1.2824684728   2.1997677503
O   -3.2096129153  -2.6074860796   0.3995533541
O    1.3737271802   3.3379801882   1.6155813256
O   -1.8446743043  -1.5700279958  -2.0739713291
O    4.8284104234  -0.3921038769  -2.1824685937
O    2.9069282176  -0.7444314189   1.8610517982
N   -0.9732922553  -1.4571897265   0.0174055641
N    0.3808694164  -1.2761327581  -1.8691706980
N    1.6487259072  -1.0472728719   0.0628896897
N    2.5982303533  -0.8343363505  -2.0818009469
N    3.9417083308  -0.5649203917  -0.1606759315
C   -3.2667691564  -0.0058131861   0.2004232356
C   -2.6760790465   1.2552845312   0.3664908759
C   -4.5152174541  -0.1443987455  -0.3888896207
C   -3.3764821363   2.3781207431  -0.0634039313
C   -0.7557384581   2.5133361186   1.0133616117
C   -5.2024414428   0.9797724898  -0.8114721779
C   -4.6277903386   2.2311065426  -0.6424172416
C    0.6509993524   2.1459320689   1.4356950292
C   -0.8850028363  -1.4451723262  -1.3438507738
C    1.5800046755  -1.0458110854  -1.2554480576
C    2.7228831036   3.0913647477   1.9383157189
C    3.7467739409  -0.6074704662  -1.4760863704
C    2.8596596433  -0.7807650169   0.5527234088
C    4.7414738221  -0.3903928932  -3.6090832306
C    4.1545655852  -0.4740513743   2.5032101236
H   -4.9526277769  -1.1237650579  -0.5187674960
H   -2.9605710489   3.3693103423   0.0510477884
H   -0.1264671198  -1.2697047600   0.5669986505
H   -1.2321368985   3.1666635931   1.7496859087
H   -0.7376296697   3.0266922601   0.0481222373
H   -6.1756356449   0.8775041818  -1.2693814544
H   -5.1577748153   3.1158243779  -0.9682968158
H    0.6272651578   1.5536132935   2.3594732302
H    1.1089643097   1.5271198849   0.6544847096
H    0.4070396904  -1.2703436941  -2.8807399715
H    2.8232673035   2.5187054913   2.8670325654
H    3.2396633862   2.5497456647   1.1378227027
H    3.2182545857   4.0514790755   2.0725482686
H    5.7492724049  -0.1912723632  -3.9605063906
H    4.0738161613   0.3926204911  -3.9647570331
H    4.4100208880  -1.3551067586  -3.9893115404
H    3.9396830206  -0.4751951224   3.5673025900
H    4.5535231369   0.4975174571   2.2154203608
H    4.8891494128  -1.2464339256   2.2811994066
*