! 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   -1.7283677998   0.5284600345   1.2432097046
O   -1.7301329784   0.4019602719  -2.5204151872
N   -1.8253411804  -0.1667298662  -0.3001236981
C    2.1728455609  -2.0344300212  -0.4739901059
C    0.7844759267  -1.5693923796  -0.9037767642
C    2.5695469267  -1.6431608926   0.9512883266
C   -0.3474929349  -2.1480793046  -0.0661145419
C    2.3785888461  -0.1676304090   1.2938897074
C   -1.7211832015  -1.6109846725  -0.4430166293
C    3.1264757392   0.8022676775   0.3877359095
C    2.8606528484   2.2547062584   0.7542403041
C   -1.7280885128   0.7288266847  -1.3356365743
C   -1.6307787290   2.0712151615  -0.7865217634
C   -1.6117616075   2.0918875150   0.5553343309
H    2.9041297340  -1.6319636412  -1.1800431286
H    2.2387620221  -3.1224307850  -0.5702438253
H    0.6260917231  -1.8390009231  -1.9517471540
H    0.7512075150  -0.4762810412  -0.8696593062
H    3.6179146484  -1.9169969538   1.1049092308
H    2.0020644711  -2.2422063802   1.6692331314
H   -0.1705866552  -1.9683217594   0.9985567386
H   -0.3794015435  -3.2346209000  -0.1836657524
H    2.7001664244  -0.0049859435   2.3275086022
H    1.3116503843   0.0813664135   1.2798746824
H   -2.4961562487  -2.0815950868   0.1638736577
H   -1.9553567869  -1.8360404631  -1.4826770159
H    4.2001303495   0.5966824387   0.4403988124
H    2.8400405511   0.6433007981  -0.6556109924
H    1.7972985864   2.4925817764   0.6696145319
H    3.1629038033   2.4697844202   1.7810132613
H    3.4022481959   2.9406229776   0.1015647872
H   -1.5685537273   2.9472219835  -1.4136586534
H   -1.5462658226   2.9530771666   1.2037920944
*