! 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    1.1327998426  -2.5502889122   1.4510797168
O    2.5229524378  -2.7487402892   1.0407811836
O    0.1406822984  -2.6737428016   0.0882656671
O   -2.7733359213  -0.1505777037   0.3296617290
O   -0.9518963998  -1.0412550675   2.7915090893
O   -0.6499127392   4.5758959723  -0.8671035526
O    3.1447069788   1.9042204138  -0.9228175761
N   -2.8585998633  -2.3544660444  -0.1624587914
N    1.0294202570  -0.8911849260   1.7051543595
N    1.2328085891  -1.4735962417  -1.5294821594
N   -0.3721881617   0.9605612603   1.9066090234
N   -0.5078931794   2.7798497088   0.5401705975
N    1.4253781672   1.4284735479   0.5089065037
C    0.1257623584  -1.6812404887  -0.8525665863
C   -1.0525307830  -0.9563693060  -1.0329202573
C   -2.3009761553  -1.1386886226  -0.2252284700
C   -1.0065715659   0.0876693838  -1.9492763169
C    0.1551012602   0.3253866623  -2.6631875706
C    1.2469807452  -0.4893802907  -2.4221736882
C   -2.5096221364  -3.4777761848  -1.0054743312
C   -3.9719283228  -2.5930861517   0.7326863078
C   -0.1538163587  -0.3690525248   2.1704840646
C    0.2139599747   1.7480648276   0.9318947454
C    0.0272442724   3.5364323417  -0.4078272046
C    1.9458192592   2.1931271919  -0.4455480147
C    1.2788156352   3.2911698219  -0.9593851676
C   -1.9631234060   4.8204276174  -0.3688545801
C    3.8851915554   0.8310233973  -0.3449333865
H   -1.8819034495   0.7028951306  -2.1079827964
H    1.6387312219  -0.2627875637   1.1597046499
H    2.1710868786  -0.3489507292  -2.9686335436
H   -1.8514415415  -3.1874369362  -1.8187990407
H   -2.0403217089  -4.2793034429  -0.4354335922
H   -3.4189229666  -3.8749660230  -1.4587066348
H   -4.9158792219  -2.6480619087   0.1869833333
H   -4.0469587544  -1.8094255851   1.4793669895
H   -3.8212491347  -3.5427643291   1.2468913447
H   -1.2948421235   1.2708134075   2.1817304023
H    1.7009003837   3.9123252048  -1.7354766209
H   -1.9569484007   5.0388903117   0.6982603578
H   -2.6290185287   3.9796085065  -0.5609269572
H   -2.3231783543   5.6913440541  -0.9092140569
H    3.3846715374  -0.1294469344  -0.4712083895
H    4.0817179828   1.0032409278   0.7131731773
H    4.8293865625   0.8042104743  -0.8811815150
H    0.2151325206   1.1231036892  -3.3887207025
*