! 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    1.4250357186   0.0243402015   1.8502983173
S    3.6027371642  -1.6140773401  -1.3865246502
O    1.8378871107   1.3579809555   2.2362909208
O    1.5702075401  -1.0625640412   2.7918764228
O   -5.0947445478  -1.1871886672  -1.0393942382
O    2.6397928187   2.7103038688  -1.5093790710
O   -0.4854871956  -1.9577480284   0.7762815406
O   -2.2951682399   1.8287132485   0.9215330041
O    0.7777026614   2.2056934472  -0.3815382195
N   -0.1985498961   0.1862530278   1.4796227800
N   -2.1584188206  -0.4598779295   0.4494441795
N   -3.9594349448   0.5789523354  -0.1125033503
N   -2.9663983111  -1.4077238951  -0.1361993299
C    2.2113470474  -0.4032387000   0.3418118150
C    2.7887585846  -1.6272335475   0.1238204147
C    2.4419702826   0.5442780387  -0.7127711265
C    3.1930898510   0.0062977382  -1.7097204368
C   -0.9001196994  -0.8329138936   0.9001533315
C    2.8499399845  -2.8717538412   0.9408292793
C   -2.7496966107   0.7908568285   0.4769605125
C   -4.0188097254  -0.7427995938  -0.4512045126
C    1.8560099593   1.8971736113  -0.8261952334
C   -4.9827258122   1.5783041355  -0.3336466636
C   -5.1136245814  -2.5769089241  -1.3867145533
C    2.1409908879   4.0235309362  -1.7821129714
H   -0.5591496374   1.1402709183   1.4260992753
H    3.4975506887   0.4730628087  -2.6337415581
H    1.8590502739  -3.1900580788   1.2536786988
H    3.2940480132  -3.6829018558   0.3664854245
H    3.4613501390  -2.7274966783   1.8301114015
H   -4.6367733035   2.5222166776   0.0753882016
H   -5.9036981063   1.2973898108   0.1704443991
H   -5.1691791593   1.7057559846  -1.3968684713
H   -6.0725208629  -2.7495812405  -1.8639690448
H   -5.0292113095  -3.2009836983  -0.4980226910
H   -4.3102737525  -2.8140146225  -2.0830539314
H    1.9370102401   4.5687287620  -0.8611236909
H    1.2387481818   3.9839370654  -2.3919910896
H    2.9278483035   4.5295774801  -2.3334847921
*