! 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   -0.9885484836   1.3159850615   0.1528376474
O   -3.7825941372  -0.9119640702  -1.0250688787
N   -1.9053471930  -0.0994630248  -0.0018205393
C    1.6472877686  -1.2388152709   0.1210766821
C    0.6163059293  -1.6012233914  -0.9407170287
C    2.9236827046  -0.6642683385  -0.4811272013
C   -0.6622660139  -2.2267925809  -0.3944018651
C    3.9896545940  -0.2916512952   0.5448175987
C   -1.4546558406  -1.3581545290   0.5726738865
C    3.6082026405   0.8738383982   1.4505173818
C    4.7330254426   1.2728964469   2.3938382526
C   -3.0198050818   0.0236125552  -0.7877501415
C   -3.1203136053   1.3984906064  -1.2460007038
C   -2.1076424606   2.1705655866  -0.8190576659
H    1.8902278175  -2.1292931585   0.7113447961
H    1.2252518232  -0.5187338388   0.8286411223
H    1.0659269038  -2.3098733889  -1.6421536634
H    0.3772557097  -0.7143954006  -1.5362840734
H    2.6742248465   0.2201675241  -1.0780464042
H    3.3417164049  -1.3930289022  -1.1824440091
H   -0.4187126987  -3.1505425515   0.1382737930
H   -1.3117456476  -2.5151592173  -1.2242247785
H    4.9135273426  -0.0359860325   0.0163066421
H    4.2270593726  -1.1673975492   1.1589990681
H   -0.8777980825  -1.1340814433   1.4702850913
H   -2.3408905864  -1.8935804796   0.9126705124
H    3.3275076395   1.7320374777   0.8317716059
H    2.7211927336   0.6218143770   2.0377797198
H    5.0169004691   0.4443166092   3.0457563741
H    5.6252716115   1.5756500783   1.8423247312
H    4.4440924320   2.1079356015   3.0335172662
H   -3.9321792673   1.7417806516  -1.8686844306
H   -1.9441149508   3.2195466591  -1.0182586845
*