! 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    1.0892702302   1.5899615950   1.6993112975
F    0.2832855153  -2.9921379340  -1.1284376586
F    1.6624651612  -3.7407427992   0.3395378767
F    1.9771075129  -4.1671975436  -1.7462091296
O    1.1069321567   0.4020699441   2.5330981605
O    1.0438710556   2.8893165748   2.3367933614
O   -0.0571304540   3.3045977089  -0.4266158074
O   -3.2121719560  -1.9040537703   1.1831250307
N   -0.2821511347   1.3872945101   0.7673707581
N   -1.9272524263   2.0765580664  -0.7241248823
N   -3.9831779133   1.1961959962  -1.1495635179
N   -2.4999069986   0.0590567652   0.2775433350
N   -4.6314391847  -0.8332575646  -0.1515582296
C    2.7654947181   0.4089352726  -0.1815658277
C    1.9847238219  -0.8767178600  -0.0640647541
C    2.4298689172   1.5668973731   0.5403634381
C    2.4179760283  -1.9663459327  -1.0363304869
C    3.8674938904   0.5084019304  -1.0247460600
C    3.1466312034   2.7502443164   0.4197601392
C    1.5887120983  -3.2112059694  -0.8916402450
C    4.5982252479   1.6823085812  -1.1456298914
C    4.2402850148   2.8084376648  -0.4267736837
C   -0.7024385115   2.3210785192  -0.1371988868
C   -2.8293508685   1.0691602726  -0.5166994131
C   -4.8563949415   0.2171150731  -0.9300492131
C   -3.4393269462  -0.8612641781   0.4204615754
C   -6.1647908527   0.2946486809  -1.6268747342
C   -1.9470572624  -2.0349009803   1.8308072325
H    2.0742121413  -1.2469483569   0.9572629586
H    0.9272740982  -0.6604214651  -0.2305200931
H    2.3305183638  -1.6269176271  -2.0701448318
H    3.4591512469  -2.2484125547  -0.8707019033
H    4.1791021886  -0.3457715289  -1.6082086423
H    2.8619735152   3.6282861266   0.9801160668
H    5.4508812240   1.7093290840  -1.8104884544
H    4.8004910250   3.7279573527  -0.5205955630
H   -0.8860281937   0.5752207312   0.9455643505
H   -2.2309837634   2.7985275553  -1.3653847314
H   -6.4569718152   1.3261882952  -1.8072489480
H   -6.0815066319  -0.1989545778  -2.5979424177
H   -6.9428869791  -0.2150458193  -1.0642406145
H   -1.1391328026  -2.1333595307   1.1057382678
H   -2.0087020238  -2.9492877116   2.4127669996
H   -1.7491062974  -1.2003142710   2.5025901259
*