! 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   -2.5609016658   0.5872913494   1.0746507323
O   -2.1174827134  -0.0110728504  -2.6188831965
N   -2.2658405600  -0.2895624536  -0.3466507976
C    2.0629634749  -1.1452747771   0.2323277332
C    0.6780793332  -0.9555345005  -0.3745829467
C    3.1455768026  -0.3644227981  -0.5064635758
C   -0.3883930332  -1.7634705375   0.3509295203
C    4.5528706459  -0.5049809335   0.0871489931
C   -1.7765750707  -1.6550783995  -0.2627543583
C    4.9551856340   0.5947128935   1.0677876259
C    4.0746068765   0.7162367175   2.3026495552
C   -2.3413450386   0.4477044264  -1.5008346546
C   -2.7294268941   1.8072731894  -1.1611981959
C   -2.8671453507   2.0023456832   0.1594214411
H    2.3216449395  -2.2093633548   0.2180332876
H    2.0348079858  -0.8572264206   1.2869244397
H    0.6972711796  -1.2412474829  -1.4314508756
H    0.4214006418   0.1086848256  -0.3498486353
H    2.8699716591   0.6954062748  -0.5495312931
H    3.1558104594  -0.7078696161  -1.5448725528
H   -0.4226288982  -1.4714356697   1.4053885449
H   -0.1210289805  -2.8234295175   0.3422552075
H    5.2851024983  -0.5071308957  -0.7241075572
H    4.6490997701  -1.4815481850   0.5739364873
H   -2.4912726038  -2.2530757013   0.3045545098
H   -1.7765576045  -2.0439806188  -1.2799355332
H    5.9869390005   0.4169562775   1.3840280904
H    4.9645620329   1.5530684256   0.5392773553
H    4.4609964556   1.4773473788   2.9822563137
H    3.0532609304   1.0030034682   2.0487519442
H    4.0274696717  -0.2241059112   2.8553886949
H   -2.8771530635   2.5686897639  -1.9116788527
H   -3.1435924862   2.9142497260   0.6675930368
*