! 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    2.2912252618   1.7998653441  -0.1445075957
O    2.8183149263   0.2724292436  -0.2043754924
O    0.7707712332  -1.3841600682   0.0951440350
O    2.6751048297   2.2292786611   1.1719275856
O    2.7214129486   2.4968721975  -1.3243598106
O   -1.2419765567   0.6675852155   3.6607152946
O   -4.7663840855  -1.1815722807   1.2745995343
O    0.2041428643   1.6130112635  -2.3800509913
N    0.6550631783   1.6654386456  -0.1296535858
N   -1.3959916542   0.9540841269  -0.9378164468
N   -1.3021837792   0.8360111718   1.3812283552
N   -3.0894545775  -0.0998808529   0.1589341263
C    2.4333252583  -0.5118491445  -1.2915552842
C    1.3635718140  -1.3945565241  -1.1099656217
C    3.1207151672  -0.4278687497  -2.4851941524
C    0.9829137364  -2.1844319279  -2.1913308695
C    2.7367004855  -1.2285606103  -3.5500849088
C    1.6647472963  -2.0935984891  -3.3969075720
C   -0.1790115561  -2.3994506368   0.4181932149
C   -0.1386916248   1.4223694349  -1.2373521289
C   -1.9428767759   0.5439903186   0.2618581020
C    0.4618395997  -3.7456603963   0.6710796004
C   -1.8512159916   0.4129863847   2.5166875547
C   -3.6272807596  -0.5131825851   1.2990374264
C   -3.0448572670  -0.2860287935   2.5409293648
C    0.0164739585   1.3386183188   3.6396520140
C   -5.3726208220  -1.4791772038   0.0184736587
H    3.9588769237   0.2494813610  -2.5785286734
H    0.1547261499  -2.8746379111  -2.1105810749
H    3.2718426199  -1.1736892908  -4.4874744598
H    1.3507351145  -2.7182385841  -4.2222124146
H   -0.9527218359  -2.4644915765  -0.3515188988
H   -0.6592081066  -2.0476619659   1.3306876075
H    0.2176551657   1.4308766987   0.7821525779
H   -1.9652449344   0.7640388992  -1.7522166321
H   -0.3097944669  -4.4511893915   0.9796237622
H    0.9487536752  -4.1582656622  -0.2123017896
H    1.1981713812  -3.6837027653   1.4721362755
H   -3.4907833915  -0.6348380999   3.4605367473
H   -0.0607272749   2.3295520418   3.1929414912
H    0.3109375096   1.4431813805   4.6798185582
H    0.7732402976   0.7503472274   3.1194613200
H   -6.2704598514  -2.0430662083   0.2548543113
H   -5.6495782623  -0.5741968361  -0.5206164543
H   -4.7217686241  -2.0887647220  -0.6074659612
*