! 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   -1.8241026337   1.6148463549  -0.2517038756
F   -1.8178242209  -2.3004513342   2.1931936766
F   -0.5502064666  -1.7953231380   0.5399367767
F   -1.0697830386  -0.3049640875   2.0084681240
O   -1.7483904633   2.2235264227   1.0613901434
O   -2.1986311501   2.4283103571  -1.3847862670
O   -0.9289541256  -0.1238845102  -2.4204557691
O    3.1690763866   1.6005928633   2.0006865365
O    5.6584441458  -0.9577722005  -0.9659944093
N   -0.3347935402   0.9411093831  -0.5089854401
N   -4.0323336309   0.4648168709  -0.9081093869
N    1.2223570704  -0.2552293176  -1.7446821069
N    2.1740887294   0.6860752411   0.1561849198
N    3.4318688567  -0.6179834809  -1.3551767200
C   -2.9536602439   0.1999128996  -0.2113899166
C   -2.7574009694  -0.9863651303   0.4971167276
C   -3.7642738649  -1.9393868355   0.3920987694
C   -1.5436306665  -1.3383945601   1.3137428263
C   -4.8955191967  -1.6714860119  -0.3554941802
C   -0.0716342095   0.1733946765  -1.6135248442
C   -4.9945137308  -0.4439732086  -0.9806428843
C    2.3199338522  -0.0472650400  -0.9339248952
C    3.2604733120   0.8746663849   0.9000335475
C    4.5067446295  -0.4197922898  -0.6042418141
C    4.4892886393   0.3371749393   0.5613236263
C    1.9043007426   2.1484999006   2.3656789350
C    5.7114056860  -1.7550768529  -2.1476859276
H    0.4465573797   1.1359305901   0.1382086245
H   -3.6778926957  -2.8932560556   0.8918786254
H   -5.6855677085  -2.4018659078  -0.4456624751
H   -5.8671406966  -0.1801298793  -1.5626673188
H    1.3901048021  -0.8345081284  -2.5570169210
H    5.3726729593   0.4928394978   1.1627038112
H    2.0772237954   2.7011076112   3.2844979970
H    1.5289560054   2.8371298445   1.6084689176
H    1.1695537511   1.3669519793   2.5599570509
H    5.4314078066  -1.1850565678  -3.0325867409
H    5.0737471000  -2.6346750518  -2.0672803241
H    6.7463078224  -2.0718864896  -2.2397848503
*