! 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    2.0997503388  -0.9798862546   1.2823743021
O    1.9218443285   0.0680862965  -1.6686511672
O    0.7514180993   1.4062181299   2.6099108235
N   -1.0638350501   1.0367629436   1.3434765181
C    3.1854750850  -1.3139635461  -0.1188516836
C    2.4072691079  -1.2402074963  -1.4115129088
C    1.1187650383   0.2968216632   0.5598552568
C    1.1733073248   0.6833545952  -0.7255892461
C    0.2678019530   0.9635073573   1.5759391745
C    0.4508237843   1.8509784808  -1.3073850388
C   -1.8297296997   0.3886781716   0.3562028886
C   -1.6003341067  -0.9377338606  -0.0003978492
C   -2.8806841076   1.0863958638  -0.2299615941
C   -2.3944224433  -1.5388446986  -0.9642732153
C   -3.6860513071   0.4693815930  -1.1759683479
C   -3.4398665479  -0.8417805630  -1.5564851008
H    3.5826351588  -2.3200096792   0.0148707573
H    4.0231307037  -0.6158217161  -0.1278578839
H    3.0559952573  -1.4820213027  -2.2520389979
H    1.5782717834  -1.9525240270  -1.4021856220
H    0.0743146177   2.5339329248  -0.5530080341
H   -0.3879206743   1.5211048126  -1.9230733147
H    1.1246145591   2.4150227606  -1.9534994708
H   -1.5771111577   1.6243774221   1.9884892751
H   -0.8134819826  -1.5080683444   0.4748173694
H   -3.0660995409   2.1154112564   0.0517044504
H   -2.2037455511  -2.5679645563  -1.2387284158
H   -4.5023508931   1.0222986368  -1.6213962015
H   -4.0613633782  -1.3203376054  -2.3013846039
*