%chk=000105420.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105420

0 1
 O   -3.371000      0.6730000      2.4800001E-02
 O  -0.7502000       1.638600      0.1948000    
 O   0.5863000       3.200900     -0.8406000    
 N    4.510000      -1.767200      0.1450000    
 C   -4.754800      -1.261700     -0.2497000    
 C   -5.952400      -2.043400      0.2827000    
 C   -4.484000     -1.4500000E-02  0.5796000    
 C   -3.067100       1.852000      0.7582000    
 C   -6.245900      -3.264800     -0.5737000    
 C    3.489100     -0.8013000      2.4900001E-02
 C   -1.860400       2.525800      0.1340000    
 C    1.491300       1.087900     -0.2070000    
 C    3.808100      0.5565000      3.8800001E-02
 C    2.160200      -1.204200     -0.1061000    
 C    2.798200       1.511500     -7.8400001E-02
 C    1.150200     -0.2492000     -0.2234000    
 C   0.4161000       2.104400     -0.3305000    
 C    4.361200      -3.072100     -0.4680000    
 C    5.714800      -1.472200      0.8945000    
 H   -3.859500      -1.896100     -0.2575000    
 H   -4.924900     -0.9713000      -1.294100    
 H   -5.760000      -2.362900       1.313500    
 H   -6.839200      -1.399300      0.3028000    
 H   -5.361900      0.6420000      0.5691000    
 H   -4.263800     -0.2942000       1.616500    
 H   -3.925100       2.532800      0.7413000    
 H   -2.841000       1.577600       1.795200    
 H   -6.476700      -2.975500      -1.604000    
 H   -5.389400      -3.946200     -0.5915000    
 H   -7.106000      -3.810600     -0.1735000    
 H   -1.627400       3.449000      0.6759000    
 H   -2.069000       2.757700     -0.9170000    
 H    4.833500      0.9036000      0.1283000    
 H    1.876500      -2.252700     -0.1110000    
 H    3.058600       2.565800     -6.5200001E-02
 H   0.1248000     -0.5888000     -0.3349000    
 H    3.931100      -2.997000      -1.473100    
 H    5.331500      -3.569500     -0.5780000    
 H    3.727300      -3.719800      0.1467000    
 H    6.241300      -2.391400       1.174900    
 H    6.405200     -0.8673000      0.2973000    
 H    5.487800     -0.9429000       1.826900    


%chk=000105420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105420

0 1
O -3.606830 0.640313 -0.041195
O -0.748993 1.443068 0.302995
O 0.608177 3.224113 -0.360225
N 4.868917 -1.700506 0.195480
C -5.176041 -1.155806 -0.484205
C -6.353452 -2.016521 0.029608
C -4.722119 -0.115032 0.543114
C -3.099610 1.672674 0.863769
C -6.811773 -3.067560 -1.004275
C 3.798164 -0.808567 0.143045
C -1.913241 2.356578 0.207799
C 1.593598 1.027330 0.035139
C 4.000634 0.575052 -0.181000
C 2.456330 -1.242609 0.409337
C 2.919011 1.463847 -0.232577
C 1.383737 -0.341092 0.355696
C 0.493500 2.010468 -0.038387
C 4.637168 -3.114714 0.521058
C 6.233985 -1.232982 -0.083785
H -4.314687 -1.803683 -0.737120
H -5.467473 -0.634127 -1.416263
H -6.055884 -2.527095 0.968461
H -7.207530 -1.357863 0.289468
H -5.559389 0.576387 0.797862
H -4.391662 -0.611046 1.484874
H -3.892976 2.431145 1.057815
H -2.794043 1.230670 1.837431
H -7.143200 -2.581979 -1.941320
H -5.985699 -3.757612 -1.259411
H -7.653173 -3.672970 -0.620141
H -1.666950 3.307535 0.714696
H -2.121706 2.567447 -0.856436
H 5.004706 0.951626 -0.393559
H 2.254295 -2.288351 0.656340
H 3.078257 2.518299 -0.483270
H 0.365209 -0.686629 0.555612
H 3.965995 -3.601374 -0.215212
H 5.597067 -3.654173 0.512587
H 4.186791 -3.236347 1.526822
H 6.935779 -2.076536 0.007868
H 6.326343 -0.822213 -1.109459
H 6.552164 -0.446164 0.629462


