! 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   -1.8252024712   1.5481613767   0.0590922578
F    0.7627699784  -2.3242315543  -2.5186036076
F    1.4977047546  -2.0922006156  -0.5118552565
F    0.5748200422  -3.9436938427  -1.1129140357
O   -1.7733234085   2.2704206816  -1.1950576959
O   -2.7976800491   1.9029451551   1.0690928165
O   -5.0145143970  -0.6340971180   1.2989110344
O   -4.9160127662   0.6175401882  -0.5593525356
O   -0.7234285843   0.2890436916   2.4500914028
O    3.0793030603   2.7246369835  -1.8914803591
O    5.8939168838   0.3923542780   0.9692743219
N   -0.8502174588  -0.7706794330  -0.6338799752
N   -0.2915605711   1.6470358809   0.6770079200
N    1.4291646577   0.6232788190   1.8644800687
N    2.2315848815   1.6848302040  -0.0403795507
N    3.6543625764   0.4951191904   1.4176947772
C   -1.9764615157  -0.2140486483  -0.2696316237
C   -3.1666193532  -0.8990008013  -0.0825501592
C   -0.8250934288  -2.0781325588  -0.8167184205
C   -3.1242894566  -2.2746080834  -0.2626226309
C   -1.9355400544  -2.8824446868  -0.6336043154
C   -4.4582649118  -0.2039494301   0.1918267757
C    0.5142460739  -2.6194876794  -1.2400549207
C    0.0825769145   0.8158098860   1.7120841468
C    2.4795009906   0.9527995208   1.0312885857
C    3.2729759470   1.9942350073  -0.8074787428
C    4.6841408229   0.8137738708   0.6445623811
C    4.5587943537   1.5795809230  -0.5085190132
C   -6.2824647599  -0.0693019288   1.6610991989
C    1.7559613909   3.1496322982  -2.2120678433
C    6.0613255925  -0.4000924677   2.1432544624
H   -4.0133249426  -2.8736784155  -0.1233141093
H   -1.8971864785  -3.9529382498  -0.7690663922
H    1.6769487133   0.0423802312   2.6553635285
H    5.4061191212   1.8366773804  -1.1264620382
H   -6.5461811167  -0.5247942972   2.6089607356
H   -6.2087480329   1.0096714138   1.7838780669
H   -7.0412657600  -0.3045978270   0.9174624509
H    1.0980323539   2.3026276008  -2.4068874599
H    1.8491970766   3.7370777024  -3.1203748627
H    1.3331283418   3.7782399945  -1.4285928031
H    7.1244503297  -0.6156854377   2.2000440729
H    5.7570055684   0.1381552620   3.0399481528
H    5.5091956377  -1.3367756608   2.0783879851
H    0.4643439143   1.9189206225   0.0269404519
*