%chk=000063909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063909

0 1
 S    1.285500      -1.139200       1.457500    
 F  -0.8164000       3.401300      -1.045200    
 O  -0.6532000      -3.864700       1.503600    
 O    4.468200       2.335900     -0.4986000    
 N   -4.371900     -0.8173000     -6.5499999E-02
 N   -1.863100      -2.107600      0.5828000    
 N    2.947700      0.7418000      0.3307000    
 N    3.542400      -1.571200      0.2491000    
 C   -3.146300     -2.8800000E-02  8.3499998E-02
 C   -4.304900      -2.257500      0.1977000    
 C   -1.913000     -0.8812000     -0.2163000    
 C   -3.134300      -2.582900       1.122800    
 C   -5.578300     -0.2133000     -0.4114000    
 C  -0.6953000      -2.827500      0.8378000    
 C   0.5758000      -2.266200      0.2494000    
 C   -6.582400     -0.9210000      -1.114100    
 C   -5.850900       1.134000     -7.5099997E-02
 C   -7.790200     -0.3157000      -1.461000    
 C   -7.058900       1.739200     -0.4219000    
 C    2.718800     -0.6245000      0.5713000    
 C   -8.028600       1.014300      -1.114900    
 C    5.115700      0.1004000     -0.5962000    
 C    4.163700       1.174200     -0.2380000    
 C    4.753700      -1.226700     -0.3601000    
 C    1.966400       1.755500      0.6027000    
 C    6.347800      0.4102000      -1.184500    
 C    5.642600      -2.246100     -0.7210000    
 C    1.036600       2.087700     -0.3737000    
 C    1.961600       2.390400       1.837600    
 C    7.223900     -0.6150000      -1.538500    
 C    6.871500      -1.942600      -1.308300    
 C   8.4700003E-02   3.072700     -0.1103000    
 C    1.009800       3.375400       2.101000    
 C   7.1300000E-02   3.716400       1.127200    
 H   -3.090900      0.3629000       1.106700    
 H   -3.140100      0.8241000     -0.6063000    
 H   -5.225500      -2.609100      0.6792000    
 H   -4.189500      -2.793600     -0.7521000    
 H   -1.022600     -0.2724000     -5.2900001E-02
 H   -1.916300      -1.191800      -1.268300    
 H   -3.087000      -3.662100       1.303300    
 H   -3.267600      -2.094500       2.096000    
 H   0.4156000      -1.785000     -0.7181000    
 H    1.259700      -3.104500      7.5999998E-02
 H   -6.426300      -1.955500      -1.411600    
 H   -5.124400       1.726000      0.4770000    
 H   -8.544400     -0.8788000      -2.003000    
 H   -7.246200       2.773800     -0.1500000    
 H   -8.969100       1.485500      -1.384800    
 H    6.640700       1.438500      -1.376700    
 H    5.382900      -3.286900     -0.5424000    
 H    1.038700       1.590600      -1.339900    
 H    2.689500       2.131700       2.601700    
 H    8.180400     -0.3783000      -1.995400    
 H    7.553500      -2.741700      -1.583700    
 H   0.9994000       3.876700       3.064400    
 H  -0.6701000       4.483000       1.332000    


%chk=000063909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063909

0 1
S 1.009534 -0.115018 2.526284
F 0.999047 5.250133 3.004069
O -1.634210 -2.250257 3.723533
O 4.185065 2.559186 -0.416523
N -3.988575 -1.174934 -0.606705
N -2.066714 -1.517003 1.556178
N 2.723244 1.218922 0.846845
N 1.898515 -0.887229 0.033026
C -2.746047 -0.386770 -0.552771
C -4.279411 -2.045877 0.550201
C -1.632817 -1.154420 0.186118
C -3.527644 -1.560779 1.800289
C -4.873617 -1.095014 -1.694481
C -1.208392 -1.889460 2.578385
C 0.293238 -1.869997 2.291220
C -5.924792 -2.052165 -1.854465
C -4.760187 -0.059518 -2.674612
C -6.813160 -1.971039 -2.945789
C -5.651464 0.001003 -3.764904
C 1.960249 0.045649 0.957975
C -6.687589 -0.949563 -3.915412
C 3.445321 0.441952 -1.367861
C 3.515012 1.495308 -0.337612
C 2.641545 -0.722527 -1.148478
C 2.767753 2.199230 1.925056
C 4.179621 0.584267 -2.573848
C 2.589891 -1.731874 -2.147985
C 1.837008 3.259584 1.931251
C 3.754442 2.081023 2.928159
C 4.119367 -0.419110 -3.555032
C 3.322348 -1.578467 -3.337184
C 1.921014 4.187452 2.981333
C 3.804393 3.036957 3.965927
C 2.880444 4.105697 4.004805
H -2.900328 0.603746 -0.070481
H -2.387663 -0.199437 -1.580862
H -5.363996 -2.014695 0.770986
H -4.015197 -3.106379 0.343230
H -0.728915 -0.523628 0.226808
H -1.378554 -2.066501 -0.391776
H -3.703637 -2.238406 2.652311
H -3.892340 -0.556381 2.094613
H 0.589476 -2.158239 1.267488
H 0.788407 -2.505191 3.038206
H -6.036134 -2.876080 -1.142811
H -3.998883 0.720452 -2.573559
H -7.605457 -2.722794 -3.042458
H -5.540937 0.810138 -4.496538
H -7.378861 -0.893978 -4.762416
H 4.784183 1.487061 -2.708864
H 1.974407 -2.617488 -1.963552
H 1.082975 3.367507 1.147443
H 4.470804 1.255309 2.890397
H 4.684690 -0.312305 -4.486359
H 3.279943 -2.359372 -4.104275
H 4.564696 2.952447 4.748275
H 2.899288 4.857870 4.798401


