! 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   -2.8845601437   0.9533125416   1.0136711309
O   -2.8783735143  -0.2605754083  -2.5507916222
N   -2.2381790831   0.4533646916  -0.4711393538
C    2.0391048299  -0.4911882757   0.4130511368
C    1.0677392374  -1.4726828730  -0.2335165024
C    3.4930716122  -0.9119169046   0.2422484186
C   -0.4059324676  -1.1521317257  -0.0087343631
C    4.4833997906   0.0628533055   0.8652886499
C   -0.8152838784   0.1912147743  -0.5967470162
C    5.9346816326  -0.3654736868   0.6891158663
C    6.9228736072   0.6097601338   1.3101715581
C   -3.1696270737   0.1626868854  -1.4338126252
C   -4.4928816252   0.4439280911  -0.9022008833
C   -4.4712233093   0.8567532282   0.3750725690
H    1.8074144140  -0.3991091726   1.4798353259
H    1.9092119244   0.5080150073  -0.0141318874
H    1.2616742948  -2.4744341593   0.1600850151
H    1.2669935131  -1.5267703991  -1.3086836625
H    3.7139919013  -1.0172614006  -0.8254950352
H    3.6369461200  -1.9054719097   0.6804298336
H   -0.6266065547  -1.1674797877   1.0631485660
H   -1.0176789774  -1.9343109029  -0.4651085809
H    4.2647988712   0.1721602442   1.9331640409
H    4.3427046437   1.0559180760   0.4245746942
H   -0.5783913704   0.2320579120  -1.6600641590
H   -0.2765821205   1.0153849164  -0.1278001739
H    6.0746252114  -1.3573353420   1.1296069835
H    6.1518570625  -0.4752384694  -0.3777810425
H    6.8344340845   1.6024316409   0.8645040762
H    6.7540741425   0.7162747432   2.3834451245
H    7.9532096755   0.2792828275   1.1719466338
H   -5.3891451901   0.3182623668  -1.4902305963
H   -5.3110616226   1.1246449778   0.9991276318
*