%chk=000062863.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062863

0 1
 S    1.027600       2.846200      0.7341000    
 F   -5.239700      0.6171000      2.0000000E-02
 F   -4.290800     -0.7041000      -1.414700    
 F   -4.274300      -1.208600      0.7004000    
 O   0.5627000      -2.049900      -1.619500    
 N   0.8346000     -0.2157000     -0.1914000    
 N    1.590000      -4.684200       1.446900    
 C  -0.3837000      0.5366000     -1.9000000E-03
 C    2.126200      0.4320000     -0.1670000    
 C  -0.4114000       1.889800      0.3647000    
 C    2.323800       1.763100      0.2223000    
 C   0.7557000      -1.585000     -0.4958000    
 C   -1.633700     -0.1099000     -0.1481000    
 C   0.8491000      -2.491800      0.7133000    
 C   -2.847900      0.5641000      1.0300000E-02
 C   -1.640300       2.563900      0.5211000    
 C    3.268200     -0.2857000     -0.5956000    
 C   -2.851700       1.908100      0.3372000    
 C    3.618300       2.322700      0.2209000    
 C    1.481600      -3.802100      0.2921000    
 C    4.547500      0.2760000     -0.5981000    
 C    4.724500       1.583200     -0.1819000    
 C   -4.136500     -0.1657000     -0.1690000    
 H   -1.686500      -1.165000     -0.4089000    
 H  -0.1632000      -2.647600       1.103200    
 H    1.440700      -2.005800       1.497900    
 H   -1.666000       3.615400      0.8029000    
 H    3.190600      -1.314400     -0.9395000    
 H   -3.778500       2.458200      0.4683000    
 H    3.778700       3.353900      0.5318000    
 H   0.8763000      -4.301600     -0.4725000    
 H    2.476700      -3.635500     -0.1354000    
 H    5.398300     -0.3132000     -0.9271000    
 H    5.713400       2.030400     -0.1788000    
 H    2.183400      -4.253300       2.154800    
 H    2.056900      -5.547100       1.170600    


%chk=000062863-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062863

0 1
S 0.894227 2.246016 1.782366
F -4.781212 1.440185 -1.912203
F -3.936989 -0.662677 -2.084424
F -5.151082 -0.066050 -0.266341
O -0.753488 -2.330634 0.842424
N 0.536685 -0.431514 0.392844
N 2.937105 -4.633642 1.094782
C -0.627075 0.418108 0.266595
C 1.815792 0.180160 0.116542
C -0.596858 1.705540 0.861122
C 2.131073 1.434347 0.695228
C 0.386798 -1.787555 0.814415
C -1.784138 -0.001336 -0.425686
C 1.620094 -2.544018 1.298635
C -2.904008 0.854332 -0.488789
C -1.714333 2.564433 0.776741
C 2.738733 -0.420790 -0.773810
C -2.878849 2.135116 0.113325
C 3.373113 2.053839 0.441807
C 1.858265 -3.844373 0.485690
C 3.991308 0.183535 -1.011924
C 4.314025 1.416312 -0.397245
C -4.156812 0.397000 -1.176237
H -1.811375 -0.989178 -0.886027
H 1.406795 -2.853652 2.338235
H 2.528693 -1.920973 1.314230
H -1.670079 3.561425 1.224929
H 2.468226 -1.359053 -1.269862
H -3.749498 2.794076 0.047041
H 3.597160 3.027440 0.889510
H 0.926933 -4.436464 0.513887
H 2.039122 -3.579214 -0.585668
H 4.704724 -0.297166 -1.689182
H 5.281583 1.891851 -0.587425
H 3.875051 -4.234346 1.010458
H 2.910891 -5.636581 0.901615


