! 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   -1.5109428761   1.2277355320  -0.7010313809
F   -3.2491262280   1.4384123341   2.4388542297
F   -4.1656974320   1.4861328736   0.4893720256
F   -4.9739244747   0.2313759386   2.0290720754
O   -1.3596404606   2.2575403698   0.3073418073
O   -2.4153867510   1.4097939180  -1.8125689761
O   -0.4532336790  -0.2431024692  -3.1555333038
O    5.6852384886  -1.7714769092  -0.7293631752
O    3.1410150653   1.1850674796   1.7860942089
N    0.0189548783   0.9571501706  -1.2591322978
N   -1.1317279440  -1.3138247921  -0.2136128853
N    1.5975823102  -0.4309397471  -2.2460240632
N    3.6398725113  -1.0999029245  -1.4993870784
N    2.3587869136   0.4088030825  -0.2169008185
C   -1.9159359929  -0.3243252538   0.1420589417
C   -2.9478375759  -0.4446810839   1.0695386497
C   -3.1246473484  -1.6978913863   1.6422005614
C   -3.8353743198   0.6866846165   1.5055815346
C   -2.3014896022  -2.7450141954   1.2704246972
C    0.3147360519   0.0625932822  -2.2727125858
C   -1.3157956150  -2.5088462755   0.3314988906
C    2.5692134312  -0.3643068905  -1.2683260209
C    4.5848644040  -1.0566667641  -0.5700534236
C    3.3114711081   0.4363682004   0.7103292389
C    4.4799019466  -0.2934960238   0.5871108552
C    5.8203375669  -2.5911456233  -1.8884582225
C    1.9286540154   1.9224391455   1.9289949425
H    0.7695130466   1.0610931292  -0.5521329058
H   -3.8981345277  -1.8672845165   2.3775070679
H   -2.4245324409  -3.7265913136   1.7030039935
H   -0.6503340599  -3.2967789789   0.0061342078
H    1.8194081218  -1.0380337537  -3.0242338530
H    5.2556787114  -0.2731953480   1.3380683771
H    6.7722546084  -3.1016273917  -1.7743624204
H    5.0237950563  -3.3306239035  -1.9550498928
H    5.8396058342  -1.9972616140  -2.8014786028
H    1.0630344602   1.2623172779   1.9871694934
H    1.7960969410   2.6423379971   1.1217483794
H    2.0210083811   2.4595314303   2.8684331290
*