! 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   -0.2730287202   1.5010761291   1.1465567337
S    5.7038070890   0.5348938889   0.5617642755
O   -1.4460483109   2.3559842716   1.1214686090
O    0.6284683102   1.5582319286   2.2772077065
O   -1.9256323210   3.2972054129  -2.0365919321
O    6.5286435065   1.0210944007   1.6584154047
O    6.3330909823  -0.1690465860  -0.5487795937
O   -2.1264079042   1.1177099788  -1.5705383509
O    1.1236886565  -1.0939632506   0.9783548237
O   -4.0081258607  -5.4652045666   0.1653028186
O   -5.1566779442  -0.9989879893   0.6760076345
N    4.9102438230   1.8327261467  -0.0279618181
N   -0.8857613019  -0.0353662552   1.0086093616
N   -0.7429584779  -2.3360715486   0.7330865541
N   -2.3663816363  -3.8996546803   0.4506390042
N   -2.9566599042  -1.6272195113   0.6992382201
C    0.6624168551   1.7780966515  -0.3342141163
C    2.8221039580   2.0012323937  -1.3623523294
C    4.3273486745   1.9110745677  -1.3435661461
C    2.0447713890   1.7275498388  -0.2469123082
C    0.0210688451   2.1331297984  -1.5181568867
C    2.1871761453   2.3644313647  -2.5442077340
C    0.8072247548   2.4402273689  -2.6208782597
C   -1.4619881346   2.1160615294  -1.6866292864
C    4.4680263609  -0.5474740462   1.2293336307
C   -0.0872816572  -1.1430139467   0.9138874714
C   -2.0878912602  -2.6206043266   0.6238808853
C   -3.3314886738   3.4005576832  -2.2923285646
C   -3.6520393047  -4.2042012384   0.3446069816
C   -4.2423708015  -1.9505712760   0.5973939137
C   -4.6649358050  -3.2553682480   0.4128078158
C   -2.9971071144  -6.4672800591   0.0833168345
C   -4.7385084798   0.3513746031   0.8660275864
H    4.7446081006   2.7719121572  -1.8687288794
H    4.6335405441   1.0391217519  -1.9231315945
H    2.5160340233   1.4894282081   0.6950416278
H    2.7759573975   2.5994228533  -3.4220275560
H    0.3419800815   2.7272921830  -3.5541302850
H    4.9111227443   2.6590106713   0.5567212969
H   -1.8966168494  -0.1575357171   0.8536495675
H    4.9678568122  -1.4307877515   1.6250599022
H    3.7813030874  -0.8441365743   0.4405520401
H    3.9330450323  -0.0425774919   2.0297226168
H   -3.5059164722   4.4339498072  -2.5727183596
H   -3.9101376833   3.1665839068  -1.3999572077
H   -3.6347942500   2.7468485957  -3.1081465696
H   -5.7091757094  -3.5171263270   0.3280290635
H   -3.5264571585  -7.4047458592  -0.0615537659
H   -2.4112982634  -6.5255672145   0.9998072349
H   -2.3303676788  -6.2995255333  -0.7616790232
H   -4.1869676082   0.4757071706   1.7980472042
H   -4.1389336872   0.7051531622   0.0277438599
H   -5.6522546060   0.9366198816   0.9181660493
H   -0.1293831688  -3.1370812862   0.6646774073
*