! 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   -2.0402525291  -0.6345435312  -0.7965064459
O   -0.8452045650  -0.3526717364   0.2846880941
O   -1.4048918384  -0.8419910416  -2.0764757760
O   -3.0393348551   0.3950263076  -0.6576687356
N    1.9870143281   2.4608481412  -0.3532461560
N   -0.2529226635   1.8392749995   0.0890916455
N   -2.6291398031  -2.0395046915  -0.2313847328
N    0.3623568115   4.0498245148  -0.0901283921
C    1.7584153896  -1.3086156703  -0.3954491205
C    2.0371185896  -1.9614095030   0.9582544848
C    1.3985323104   0.1438115862  -0.2981934311
C    2.3383985831  -3.4482506006   0.8303637675
C    2.3291716916   1.1859474730  -0.4442953558
C    0.1240202833   0.5892203749  -0.0046097423
C    2.6258805455  -4.1071766881   2.1699843759
C    0.7021773917   2.7479859642  -0.1106915543
C    3.7671834194   0.8889733688  -0.7195196693
C   -0.9111408654   4.5424703696   0.3889237321
C   -1.7228807214  -3.1872211178  -0.2687358494
C   -3.4303721078  -1.9718166051   0.9917796114
C   -1.0498483307   4.5339320500   1.9020709989
H    2.6354407679  -1.4251677451  -1.0351233828
H    0.9614297330  -1.8564574466  -0.9025140443
H    1.1776841682  -1.8187723917   1.6203267045
H    2.8794011586  -1.4555245057   1.4411307500
H    1.4906526619  -3.9483424230   0.3502477291
H    3.1915878856  -3.5896767350   0.1601397138
H    1.7786710619  -4.0075376184   2.8512277784
H    2.8319087649  -5.1721433945   2.0558849550
H    3.4925735024  -3.6554754732   2.6561974519
H    4.1823941684   0.2062836526   0.0228635683
H    4.3563472228   1.8024492406  -0.7140509993
H    3.8880331091   0.4122277892  -1.6939376741
H    1.1338210755   4.6971724160  -0.0894612109
H   -1.0173864852   5.5599008003   0.0149168984
H   -1.7110884100   3.9607572983  -0.0666254413
H   -1.0114622771  -3.1785057428   0.5596740353
H   -1.1876344858  -3.2383126929  -1.2120971227
H   -2.3286051817  -4.0867745081  -0.1898144688
H   -2.8200220598  -1.8196060814   1.8838803366
H   -4.1808102827  -1.1905148126   0.9268599892
H   -3.9514688918  -2.9210962589   1.0894743306
H   -2.0168020298   4.9468241840   2.1922620819
H   -0.2744792120   5.1396360465   2.3726274770
H   -0.9845950116   3.5236797659   2.3057415827
*