! 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   -2.1859433564  -0.2223735873  -1.4837697212
F   -0.1412991445   3.0454965699   0.3781149654
F    0.8348006569   4.5241317782  -0.8562512483
F    5.9602375006  -2.0253963754  -0.2651955458
F    7.0288594749  -1.3893623054   1.5019574422
O   -1.9777596753  -0.7277400202  -2.8248260320
O   -2.5148497095   1.1777183789  -1.2917977494
O   -2.6794366434   0.5826868823   1.5601393861
O   -4.7531652444   1.3738197423   1.2837421669
O   -0.6139993740  -2.6661245557  -0.9319309129
O    2.0535290196   2.9575194874  -0.0111588253
O    5.4166618916  -0.1432243989   0.7947675204
N   -0.7813916339  -0.4303710564  -0.6066662023
N    1.1873642561  -1.5805498988  -0.1215059760
N    1.5770744041   0.7136500126  -0.0347419821
N    3.2875047224  -0.8611537080   0.3511916692
C   -3.4269960733  -1.2224973578  -0.7090596097
C   -4.1777995972  -0.7373989336   0.3630279499
C   -3.7385206719  -2.4324007193  -1.3112524802
C   -5.2561653839  -1.4881226997   0.8117086551
C   -4.7977271367  -3.1837838841  -0.8273795682
C   -5.5586751787  -2.7091070330   0.2275106616
C   -3.9070352765   0.5376138725   1.0894131812
C   -0.1064743248  -1.6199458935  -0.5904677945
C    2.0391033104  -0.5220548103   0.0727664327
C    2.4601856411   1.6857371396   0.1183884045
C    4.1337342344   0.1328367926   0.5191874708
C    3.7900711426   1.4700417168   0.4107931144
C   -2.3116183737   1.7393382745   2.3194442667
C    0.8127987900   3.2241403600  -0.5551762591
C    5.8146132175  -1.4588577678   0.9455904073
H   -3.1748566552  -2.7925295855  -2.1584323899
H   -0.3002404303   0.4160658663  -0.2965670566
H   -5.8577358504  -1.1234646108   1.6331448705
H   -5.0339279286  -4.1311339118  -1.2907247067
H   -6.3957607998  -3.2847065377   0.5971308965
H    1.6211240765  -2.4922457142  -0.0497694462
H    4.5018746754   2.2721199178   0.5331943684
H   -1.2652840063   1.6071910523   2.5741666567
H   -2.8984597593   1.8016776111   3.2347704250
H   -2.4428816669   2.6531581724   1.7433247800
H    0.5808139519   2.6340221671  -1.4413015862
H    5.1488568626  -2.0602251686   1.5611370742
*