%chk=000004679.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004679

0 1
 S   -1.035900      0.7797000     -0.7482000    
 F    8.134700      0.7798000      0.5489000    
 F    7.093300       1.120300      -1.329600    
 O   -3.869800      -1.534600     -0.5029000    
 O    6.382100     -0.5255000      5.2600000E-02
 O   -1.056800       2.292600     -0.6538000    
 O   -6.550900     -0.7993000     -0.5289000    
 N    1.757800      0.8453000     -0.7953000    
 N   0.8855000     -0.8884000      0.2883000    
 N   -3.711600       1.665100       1.245300    
 C    2.829600      0.1189000     -0.3436000    
 C   0.6196000      0.2036000     -0.3930000    
 C    2.259100     -0.9579000      0.3296000    
 C   -1.918400      0.1430000      0.7059000    
 C   -3.377600      0.4935000      0.6667000    
 C    4.207400      0.3056000     -0.4624000    
 C    3.097600      -1.914800      0.9258000    
 C   -4.274000     -0.3671000      6.2500000E-02
 C    5.026900     -0.6565000      0.1368000    
 C    4.484000      -1.747700      0.8190000    
 C   -5.614600      1.9000000E-03  5.0700001E-02
 C   -6.004800       1.201500      0.6356000    
 C   -5.023500       1.990300       1.214400    
 C   -4.409400      -2.741000      2.0999999E-03
 C    6.905000      0.7936000     -2.7400000E-02
 C   -6.835400     -0.6020000      -1.899200    
 H   -1.458100      0.5827000       1.598500    
 H   -1.774200     -0.9405000      0.7697000    
 H    1.803500       1.702500      -1.330000    
 H    4.590100       1.151300      -1.021500    
 H    2.685500      -2.766200       1.458000    
 H    5.141700      -2.482800       1.277000    
 H   -7.042800       1.515400      0.6422000    
 H   -5.275900       2.935400       1.683700    
 H   -5.274400      -3.047700     -0.5926000    
 H   -4.688100      -2.660100       1.058800    
 H   -3.646400      -3.519900     -8.7899998E-02
 H    6.306100       1.555900      0.4833000    
 H   -7.234700      0.4028000      -2.070600    
 H   -7.590100      -1.331600      -2.205700    
 H   -5.939100     -0.7542000      -2.509100    


%chk=000004679-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004679

0 1
S -1.165571 0.516409 -1.242236
F 8.087521 0.737170 1.125925
F 6.818407 1.839730 -0.414809
O -3.866932 -1.427072 -0.322596
O 6.351079 -0.372406 0.217820
O -0.738763 2.126299 -1.470680
O -6.714675 -0.615497 -0.351659
N 1.557013 0.750222 -0.803998
N 0.858210 -1.404832 -0.435561
N -3.684685 1.977149 1.131096
C 2.708405 0.041689 -0.449380
C 0.514243 -0.162956 -0.771132
C 2.258246 -1.311067 -0.220225
C -1.904160 0.381604 0.627790
C -3.348162 0.741252 0.643199
C 4.059238 0.428651 -0.324353
C 3.188373 -2.309927 0.147857
C -4.320180 -0.184303 0.160171
C 4.942791 -0.597463 0.065491
C 4.536781 -1.941106 0.293075
C -5.688408 0.211391 0.134246
C -6.032100 1.473083 0.668027
C -5.005887 2.309828 1.160052
C -4.414696 -2.621598 0.375164
C 6.764066 0.883598 0.670855
C -6.590672 -1.018052 -1.777229
H -1.294309 1.095527 1.198853
H -1.699036 -0.674489 0.855731
H 1.387520 1.735613 -1.047744
H 4.407744 1.438350 -0.556564
H 2.859543 -3.338869 0.316263
H 5.299045 -2.669322 0.582524
H -7.080155 1.785682 0.672803
H -5.243309 3.292549 1.580695
H -5.517637 -2.636923 0.327263
H -4.085349 -2.623200 1.430365
H -3.986950 -3.484455 -0.155556
H 6.129800 1.322722 1.462881
H -6.689301 -0.127337 -2.424165
H -7.428817 -1.707533 -1.954854
H -5.625269 -1.517212 -1.971702


