! 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   -0.9912941174   1.2946604470  -1.3787305313
O   -1.5798034601   1.2796961649  -2.7013759164
O   -0.5281969244   2.5487221599  -0.8144476888
O    0.3127201314   0.7883788804   1.7548297755
O   -0.6647123265  -1.5198372503  -2.2142166554
O   -6.2897626051  -2.3856742724   1.2748367478
O    5.5941182061  -2.9383315317  -0.0091373517
O    4.2037737023   1.4697653829   0.4053125837
N    0.3560782975   0.3235040278  -1.3628846645
N   -0.9511354363   2.5797010701   2.3248831944
N   -5.1215323801  -1.5161757422  -0.4957033533
N    1.4692322276  -1.7093624762  -1.5112065093
N    3.5272770494  -2.3266814592  -0.7711345525
N    2.8245213635  -0.0840046625  -0.5516905190
C   -2.1172993516   0.5357796619  -0.2415628672
C   -1.9470581770   0.7124849615   1.1294030949
C   -3.1721702746  -0.1901323152  -0.7594750289
C   -4.0905709522  -0.7935154271   0.0982873168
C   -2.8734481524   0.1093686478   1.9665257692
C   -0.7547013346   1.3916584155   1.7402818214
C   -3.9309052031  -0.6380797554   1.4736898038
C   -2.0865144623   3.4312366382   2.0318133468
C    0.1807475472   3.2546055084   2.9280762822
C    0.3170325317  -0.9952729077  -1.7292059275
C    2.6580030256  -1.3433653367  -0.9146894608
C   -6.1067960933  -2.2374822576   0.0817838240
C    4.6779158538  -2.0034892773  -0.1980159228
C    3.9844254151   0.2242846526   0.0203618346
C    4.9789127529  -0.7153856796   0.2278988756
C    5.3104371483  -4.2782538218  -0.4061830675
C    3.1649406604   2.4353374258   0.2434962830
H   -3.2944793617  -0.2950374482  -1.8289858571
H   -2.7752939757   0.2188131529   3.0382169442
H   -4.6179470248  -1.0860609292   2.1717479668
H   -5.1289983732  -1.5238397919  -1.5056236715
H   -2.8833353785   2.8843890305   1.5391739870
H   -1.7903505742   4.2562398045   1.3825386170
H   -2.4872666513   3.8496282648   2.9537059117
H    0.7639624939   3.8025634339   2.1848664694
H   -0.1852359969   3.9669556347   3.6645667408
H    0.8324481184   2.5500544453   3.4351146055
H    1.4067841406  -2.6823251188  -1.7804514398
H   -6.7508701176  -2.6982708260  -0.6766680933
H    5.9201105558  -0.4665748181   0.6954715283
H    5.1594004056  -4.3563164464  -1.4822614843
H    4.4383432829  -4.6765183190   0.1109891058
H    6.1859443868  -4.8571284434  -0.1261740484
H    3.5646154837   3.3652876757   0.6382359078
H    2.2776995670   2.1575325252   0.8113602512
H    2.9079478291   2.5791241231  -0.8061665592
H    1.1999363091   0.6569016390  -0.8739736007
*