! 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   -1.5986307369   0.3566247911   1.6127187294
O   -2.2205503694   1.3125593823   2.5053459724
O   -1.4453184491  -1.0238464449   2.0375764475
O   -1.6232508252  -2.8736717477  -0.8198983463
O   -0.6419479011   2.8573223829   0.3766713994
O   -0.0179935923  -1.3172949640  -0.7484124339
N   -0.0546992585   0.8520659485   1.2713016604
N    1.4773603947   2.1283756364   0.0923127619
N    3.5283678397   1.5547153062  -0.7231272064
N    2.3862007165   0.0849080674   0.7315523232
C   -2.4863356620   0.3702542835   0.0769409409
C   -2.2931087286  -0.6416140092  -0.8661407230
C   -3.4671076292   1.3328199497  -0.0978495878
C   -3.1092461641  -0.6701363472  -1.9879410464
C   -4.2605689676   1.3012888852  -1.2350696382
C   -4.0836910956   0.3007488808  -2.1749747496
C    0.1982525737   2.0006533487   0.5692217220
C   -1.1794881409  -1.6336061647  -0.7825853953
C    2.5040562778   1.2010222012   0.0407398288
C    4.5218816219   0.6792837849  -0.8221821702
C    3.3625572229  -0.8196761638   0.6134882969
C    4.4685790104  -0.5493962883  -0.1666940940
C    5.6952915086   1.0388281017  -1.6669924651
C    3.1869700060  -2.0985100911   1.3543480699
C   -0.6398018826  -3.9154776781  -0.8307781137
H   -3.6287566471   2.1006070487   0.6440688964
H   -2.9769573081  -1.4435250185  -2.7323805683
H   -5.0217823887   2.0557689729  -1.3745196781
H   -4.7055735989   0.2680245621  -3.0586796346
H    1.6400021636   2.9772254004  -0.4326375354
H    5.2699240084  -1.2674046153  -0.2680481669
H    5.8381370526   0.2998845643  -2.4563589019
H    5.5726930303   2.0174115560  -2.1240693623
H    6.6075396532   1.0445353059  -1.0690829818
H    3.9864581007  -2.8029329760   1.1378939993
H    3.1684762485  -1.9173016326   2.4299645371
H    2.2335943672  -2.5576916142   1.0887663401
H   -1.1952092613  -4.8472844925  -0.8645190223
H   -0.0303759334  -3.8897037475   0.0719510281
H    0.0021359497  -3.8429357150  -1.7075773061
H    0.7043772142   0.1460464591   1.2884829496
*