%chk=000039463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039463

0 1
 S    2.394700      -1.234900      0.4032000    
 F    3.955000      0.7725000     -0.1262000    
 F    3.954900     -0.8194000      -1.616700    
 F    2.261200      0.5454000      -1.486700    
 O    3.451900      -1.785800       1.230200    
 O    1.509900      -2.107900     -0.3421000    
 O   -4.850400      0.4651000     -0.7443000    
 N    1.500000     -0.1102000       1.348500    
 N   -3.142600     -0.8818000      0.1655000    
 C   0.2613000      0.3812000      0.8297000    
 C   0.1378000       1.705300      0.4084000    
 C  -0.8320000     -0.4814000      0.7486000    
 C   -2.048700     -1.9700000E-02  0.2462000    
 C   -1.078800       2.166900     -9.3800001E-02
 C   -2.172000       1.304400     -0.1749000    
 C    1.293300       2.649700      0.4847000    
 C    3.168100     -0.1383000     -0.7481000    
 C   -4.432200     -0.6014000     -0.3054000    
 C   -5.331300      -1.809700     -0.2268000    
 H    2.054100      0.5634000       1.890500    
 H  -0.7429000      -1.510400       1.090100    
 H   -1.189700       3.195200     -0.4279000    
 H   -3.079900       1.733800     -0.5748000    
 H   0.9525000       3.688600      0.4011000    
 H    1.809500       2.584700       1.447200    
 H    2.004100       2.482300     -0.3255000    
 H   -2.972800      -1.830800      0.4922000    
 H   -4.931500      -2.609200     -0.8568000    
 H   -6.334100      -1.549000     -0.5764000    
 H   -5.396300      -2.157300      0.8082000    


%chk=000039463-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039463

0 1
S 2.412950 -1.353102 0.600838
F 3.324806 0.801002 -1.146393
F 4.515296 -1.112100 -1.463418
F 2.414892 -0.927674 -2.321596
O 3.688812 -1.737690 1.513645
O 1.328314 -2.460746 0.134263
O -4.851810 0.468516 -0.760144
N 1.375847 0.069971 1.630711
N -3.117913 -0.847717 0.119264
C 0.223701 0.578286 1.004680
C 0.110866 1.954722 0.591102
C -0.867543 -0.323003 0.847537
C -2.081196 0.111447 0.275085
C -1.133015 2.364291 0.066720
C -2.218125 1.477367 -0.110276
C 1.264757 2.926182 0.741497
C 3.241138 -0.602744 -1.253297
C -4.414220 -0.654477 -0.373858
C -5.274998 -1.913589 -0.408880
H 2.108247 0.781690 1.823098
H -0.734192 -1.356804 1.183104
H -1.260382 3.410369 -0.233925
H -3.163838 1.816638 -0.536758
H 1.006220 3.904056 0.304055
H 1.524419 3.105444 1.803410
H 2.177405 2.566905 0.228853
H -2.874718 -1.802249 0.393714
H -5.633343 -2.072449 -1.440234
H -6.165361 -1.756118 0.224126
H -4.753914 -2.825124 -0.069026


