! 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   -2.6413145574   0.1688268053  -1.2130693007
O   -0.7186065226   0.5995916248   1.9989834238
N   -1.8830904530  -0.2919941619   0.2316576616
C    1.4581479467  -1.8477950870   0.5109830658
C    0.5470855182  -1.7824698714  -0.7092376932
C    2.8076417150  -1.1653848892   0.3091747271
C   -0.8213100964  -2.4179614964  -0.4968080862
C    2.7192800688   0.3453586637   0.1192799710
C   -1.6986474317  -1.7037550890   0.5252181601
C    4.0857533097   1.0174403232   0.0773299736
C    4.0012318683   2.5215382313  -0.1310025507
C   -1.3214692439   0.7422829914   0.9378006447
C   -1.5838429438   1.9859978463   0.2320317883
C   -2.2680516021   1.8118882516  -0.9091432274
H    1.6211778629  -2.8986102160   0.7704908092
H    0.9669408299  -1.3939431572   1.3757811949
H    1.0380013075  -2.2900157412  -1.5448136192
H    0.4169475058  -0.7452167184  -1.0325393731
H    3.3228399831  -1.6112090792  -0.5488130296
H    3.4379822414  -1.3734324463   1.1795635857
H   -0.7096092143  -3.4511519740  -0.1564946003
H   -1.3496743772  -2.4754124159  -1.4528158999
H    2.1225511691   0.7777896003   0.9304314232
H    2.1822619720   0.5798104768  -0.8051136331
H   -1.2661321603  -1.7542820631   1.5225186771
H   -2.6754906493  -2.1865537891   0.5835850620
H    4.6220019186   0.8073807010   1.0079231175
H    4.6840251686   0.5711216364  -0.7231002311
H    3.5104293643   2.7646836548  -1.0753696264
H    3.4307920823   3.0006729459   0.6670591832
H    4.9903041139   2.9813981418  -0.1483849840
H   -1.2523608562   2.9415556225   0.6084131442
H   -2.5927880568   2.5681930271  -1.6083676232
*