! 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   -2.9935314586  -0.1446057581   1.0633834368
O   -2.3794390881   0.5001665910  -2.5972682757
N   -2.3449033591  -0.3897998351  -0.4832715139
C    1.8747254561   0.6420296286   0.4088620188
C    0.6031527983   0.2904630456  -0.3579817869
C    3.0506263423  -0.2929462368   0.1505622467
C   -0.0047392943  -1.0454063884   0.0488220418
C    4.3215505744   0.1482046286   0.8658368256
C   -1.2987153103  -1.3792391658  -0.6784109544
C    5.5109499392  -0.7680363460   0.6089397031
C    6.7740751744  -0.3115744977   1.3234887241
C   -2.7714694376   0.5036091322  -1.4321591749
C   -3.7382488255   1.4032985534  -0.8239264924
C   -3.9326015420   1.1641282577   0.4822131342
H    1.6550144051   0.6621384877   1.4818616485
H    2.1713531070   1.6612963058   0.1436898364
H    0.8120101585   0.2835074218  -1.4328492994
H   -0.1281527937   1.0876734910  -0.1952644921
H    3.2395146333  -0.3458105926  -0.9274591383
H    2.8006348117  -1.3109786711   0.4651011302
H   -0.1689069881  -1.0629633899   1.1316733455
H    0.6882678567  -1.8634498218  -0.1605144163
H    4.1316007256   0.2000149147   1.9436130667
H    4.5775835696   1.1670301285   0.5550368057
H   -1.6714708382  -2.3551056468  -0.3636897626
H   -1.1289232220  -1.4387959290  -1.7524373663
H    5.2602236024  -1.7853298953   0.9243850619
H    5.6998441200  -0.8226248776  -0.4674843777
H    7.6126489315  -0.9803954066   1.1249670825
H    7.0709006877   0.6894616325   1.0043353630
H    6.6288417667  -0.2801846312   2.4051032444
H   -4.2307853393   2.1837048286  -1.3836172828
H   -4.5921713854   1.6868423811   1.1593096494
*