%chk=000030947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030947

0 1
 O   -4.028600     -0.4925000     -0.4348000    
 N    4.858800     -0.3565000     -0.1656000    
 N    1.345000      0.8516000      5.6000002E-02
 C    3.775100      0.6086000      1.6700000E-02
 C    2.425500     -7.4600004E-02 -0.1472000    
 C   2.6000000E-03  0.5162000     -6.7599997E-02
 C    4.736600      -1.450200      0.7976000    
 C    6.157600      0.3017000     -2.9500000E-02
 C  -0.3827000     -0.7914000     -0.4098000    
 C   -1.000900       1.476400      0.1481000    
 C   -2.713600     -0.1634000     -0.3148000    
 C   -1.730600      -1.128800     -0.5323000    
 C   -2.348800       1.139200      2.5400000E-02
 C   -4.955000      0.2271000      0.3776000    
 C   -6.141100     -0.6636000      0.6803000    
 H    3.859700       1.406600     -0.7324000    
 H    3.833900       1.091400       1.001900    
 H    2.298200     -0.8754000      0.5871000    
 H    2.365600     -0.5118000      -1.152100    
 H    1.563900       1.809400      0.3082000    
 H    3.928100      -2.139200      0.5346000    
 H    4.596100      -1.094500       1.824900    
 H    5.641700      -2.070400      0.7860000    
 H    6.971300     -0.4058000     -0.2249000    
 H    6.303200      0.7281000      0.9698000    
 H    6.261100       1.106200     -0.7662000    
 H   0.3487000      -1.575300     -0.5871000    
 H  -0.7328000       2.498000      0.4083000    
 H   -2.009400      -2.145000     -0.7972000    
 H   -3.081000       1.926800      0.1759000    
 H   -4.512700      0.5228000       1.337200    
 H   -5.290000       1.119500     -0.1627000    
 H   -6.878400     -0.1390000       1.294300    
 H   -6.623100     -0.9918000     -0.2466000    
 H   -5.819900      -1.567400       1.208600    


%chk=000030947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030947

0 1
O -4.116935 -0.691839 -0.087332
N 4.949631 -0.381329 -0.139565
N 1.361596 0.740150 0.257737
C 3.805945 0.531593 0.065907
C 2.448068 -0.194202 -0.040064
C 0.004391 0.394323 0.187188
C 5.219800 -1.258305 1.018454
C 6.168416 0.322900 -0.587600
C -0.422998 -0.880606 -0.292864
C -0.996326 1.325276 0.584806
C -2.775049 -0.263036 0.029584
C -1.791957 -1.197619 -0.370362
C -2.368660 1.006606 0.511211
C -5.163856 0.256421 0.321710
C -6.504470 -0.443987 0.110366
H 3.840934 1.312349 -0.716852
H 3.865158 1.060823 1.056942
H 2.423742 -1.071019 0.645744
H 2.347641 -0.589015 -1.069819
H 1.603389 1.591491 0.765135
H 4.321259 -1.842389 1.278919
H 5.541372 -0.691678 1.930023
H 6.021178 -1.972786 0.759398
H 6.955688 -0.416228 -0.821379
H 6.581756 1.032398 0.174353
H 5.954167 0.893839 -1.508270
H 0.312696 -1.627833 -0.605360
H -0.696289 2.314879 0.953395
H -2.118889 -2.175331 -0.738920
H -3.102257 1.754424 0.828023
H -5.021350 0.534496 1.387765
H -5.093076 1.179525 -0.292164
H -7.335455 0.224360 0.401509
H -6.633137 -0.723333 -0.949386
H -6.562024 -1.362316 0.719465


