! 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    1.4695643263   0.0492425966   1.8778584209
S    3.5757770871  -1.5976843913  -1.3999087809
O    1.8737902266   1.3972705722   2.2231620885
O    1.6773551204  -1.0187088884   2.8296129977
O   -4.9662093906  -1.1102474870  -1.1686555071
O    2.4230570361   2.6811187813  -1.6133032408
O   -0.4192240133  -1.9356645555   0.7788802541
O   -2.2928732407   1.8102480845   1.0889982566
O    0.6309291763   2.1232159590  -0.4011340802
N   -0.1731008698   0.1766692377   1.5826461366
N   -2.1092153662  -0.4467715231   0.4945469928
N   -3.8947830309   0.6076415890  -0.0882523875
N   -2.8806276375  -1.3664506496  -0.1792168580
C    2.2023219086  -0.3907355891   0.3456286489
C    2.8158012045  -1.5989562214   0.1380970628
C    2.3599513660   0.5346264443  -0.7415454869
C    3.0960842209  -0.0025476177  -1.7501200742
C   -0.8531875656  -0.8240144697   0.9472390947
C    2.9413065839  -2.8226991275   0.9785381639
C   -2.7145724997   0.7958987993   0.5652423711
C   -3.9242221415  -0.6926991380  -0.5048110163
C    1.7072687500   1.8542575658  -0.8748764584
C   -4.9114171581   1.6139075081  -0.3093534908
C   -4.9499810095  -2.4746664498  -1.6053671323
C    1.8454120720   3.9562603834  -1.9118548830
H   -0.5517547335   1.1251965330   1.5646973960
H    3.3481282903   0.4481465487  -2.6975913833
H    1.9691996545  -3.1675675507   1.3211653005
H    3.3986251532  -3.6300205562   0.4095518224
H    3.5680363479  -2.6405847348   1.8497950419
H   -5.0421285675   1.7977512211  -1.3726434745
H   -4.5932682400   2.5355101088   0.1674941555
H   -5.8559448837   1.3034040720   0.1294627061
H   -4.9074303647  -3.1543782168  -0.7553261699
H   -4.1071141610  -2.6596505169  -2.2700402970
H   -5.8793881778  -2.6233494984  -2.1449421924
H    0.9251406456   3.8480894215  -2.4847540326
H    2.5830997417   4.4819746315  -2.5097334977
H    1.6464162910   4.5228227960  -1.0032669412
*