! 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   -1.7328333196  -0.3855756642  -1.9874698904
S   -3.7384950626   1.2771130517   1.4047146822
O   -2.4074123407  -1.5159079863  -2.5903424580
O   -1.3615743332   0.7396217645  -2.8186367059
O   -1.2362201404   2.5129955376   1.6526655485
O   -1.2965057789  -2.3334635340   0.1650968878
O   -0.2226686190   1.7495519276  -0.1953381320
O    5.1245016344  -0.9182106108   1.8258036469
N   -0.3147437218  -0.9004064593  -1.2955539952
N    0.8830141489  -1.8328421243   0.4658443110
N    2.2378836845  -0.4385203316  -0.8130955981
N    2.9949564589  -1.4086297885   1.1903988570
N    4.4183749678  -0.0100392384  -0.0706827441
C   -2.7480392990   0.1427653712  -0.6406445731
C   -2.4267005207   1.0650823971   0.3272105822
C   -4.0527772649  -0.3812246128  -0.5059241613
C   -4.7012635702   0.1589296792   0.5637171891
C   -0.3133128222  -1.7311762541  -0.2095893865
C   -1.1736196098   1.8011642181   0.5425322444
C    2.0765016854  -1.1933305065   0.2589509531
C    3.4358725860   0.1393905791  -0.9364584806
C    4.1386322588  -0.7913903657   0.9710823299
C    3.6578401292   0.9775697673  -2.1406757236
C   -0.0763729430   3.2657831935   2.0221064015
C    4.9310732788  -1.7086630288   2.9998477470
H   -4.4933705192  -1.1183834535  -1.1581085117
H    0.5464438399  -0.3681257673  -1.4914006823
H   -5.7055873413  -0.0583035782   0.8938630729
H    4.5829105600   1.5416568200  -2.0684630388
H    3.7099805089   0.3372903006  -3.0232683609
H    2.8249456661   1.6630710221  -2.2917754018
H    0.1730050224   4.0045718683   1.2625019209
H   -0.3347687724   3.7706182035   2.9472331726
H    0.7759063402   2.6099752634   2.1928758131
H    4.1275884147  -1.3114525816   3.6181784317
H    5.8675548649  -1.6516130789   3.5463012200
H    4.7211627326  -2.7476524378   2.7508722709
H    0.8454016273  -2.4290608226   1.2831313987
*