! 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   -1.7311562767  -1.7779620847  -0.0207290581
S   -3.5282113893   2.1018878533   0.0483113357
O   -2.3461838281  -2.7505426881   0.8571148493
O   -1.5489678726  -2.1069736785  -1.4180373344
O   -1.2109839221   2.6429344149  -1.4437725041
O   -0.9015060196  -0.7371903066   2.5941128621
O   -0.3090141359   0.5953110030  -1.5401081674
O    3.4152020765  -1.0559565011  -1.9773854515
N   -0.2087990814  -1.4178773867   0.5426471321
N    1.2251832678  -0.2882876560   1.9891738996
N    3.3003124961   0.5767184981   1.6239527017
N    2.2749885320  -0.7366384231  -0.0339767610
N    4.3989717848   0.1912260111  -0.4210258984
C   -2.6502957304  -0.2792455032   0.1602559285
C   -2.3373140222   0.9485655363  -0.3748532735
C   -3.8505424206  -0.2787977368   0.9047419530
C   -4.4314623567   0.9536664158   0.9159975270
C   -0.0265509659  -0.8183134384   1.7599667311
C   -1.1755910827   1.3504085031  -1.1789208211
C    2.3011920126  -0.1495863168   1.1532061534
C    4.3319054761   0.7168645106   0.7945568287
C    3.3461501990  -0.5270267854  -0.7800765071
C    5.4966104987   1.4984365658   1.2805317564
C   -0.1244112999   3.1885318064  -2.1996558216
C    2.3320488742  -1.8629041806  -2.4453550583
H   -4.2662344999  -1.1383066259   1.4061213239
H    0.5542250438  -1.3478479256  -0.1428326650
H   -5.3517719787   1.2353419473   1.4042138963
H    6.0937026039   1.8772283980   0.4554865508
H    5.1798480814   2.3234349487   1.9145702026
H    6.1338463011   0.8492156586   1.8853748371
H    0.8217548281   3.0540626694  -1.6771525905
H   -0.0656711969   2.7360864144  -3.1884559128
H   -0.3357378450   4.2483541709  -2.2981777704
H    1.4146430864  -1.2823349755  -2.5330444921
H    2.1698175050  -2.7246534897  -1.7989879549
H    2.6299395049  -2.2082272823  -3.4305419342
H    1.3217554647   0.1632901768   2.8900198309
*