! 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   -2.0947933327   0.1605035168   1.1796732158
O   -1.1204224858   0.5426467555  -2.4336281606
N   -1.8151462336  -0.3031470768  -0.4256193762
C    1.5878740525  -1.9489313914   0.5208727456
C    0.1918794768  -2.5644674201   0.4597126436
C    1.5942661182  -0.4279683050   0.4414067360
C   -0.5175112766  -2.3878054431  -0.8936789954
C    2.9879932404   0.1800327432   0.5223136782
C   -1.8737678379  -1.7002956314  -0.8344931788
C    2.9723496852   1.7010596672   0.4415957182
C    4.3616089737   2.3163890208   0.5002861765
C   -1.3880923261   0.7074066356  -1.2434560130
C   -1.3281241769   1.9397320722  -0.4780753195
C   -1.6731236739   1.7752821523   0.8097515638
H    2.2011875341  -2.3604864953  -0.2882500818
H    2.0695087652  -2.2596385039   1.4531859975
H   -0.4092978845  -2.1418772999   1.2706488363
H    0.2687501934  -3.6298259026   0.6857022093
H    0.9751137399  -0.0212721505   1.2487632044
H    1.1287438677  -0.1016632320  -0.4935478068
H   -0.6928162293  -3.3640036356  -1.3505539505
H    0.1203046697  -1.8482994215  -1.5975757768
H    3.6069185970  -0.2198925652  -0.2884868883
H    3.4720035661  -0.1300702553   1.4549510920
H   -2.5413507364  -2.2236741531  -0.1486321214
H   -2.3532680135  -1.7312807038  -1.8130307166
H    2.4754746219   2.0070672058  -0.4841725645
H    2.3606483456   2.0989507077   1.2570106543
H    4.9857754299   1.9658198765  -0.3238063319
H    4.3204304940   3.4047466061   0.4400385108
H    4.8716720128   2.0583020798   1.4302258825
H   -1.0288815026   2.8790363013  -0.9164887617
H   -1.7132915282   2.5265824641   1.5842095843
*