%chk=000054064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054064

0 1
 O   -1.398100       1.177300     -0.5870000    
 O    1.030900      0.4895000      -1.413000    
 N    2.039100      -1.061100     -1.4600000E-02
 N    5.214100      0.8316000      0.4423000    
 C   -1.774300       2.139400      0.3958000    
 C   -1.502100     -0.1364000     -0.2388000    
 C  -0.3822000     -0.9682000     -0.2398000    
 C    3.402200     -0.6506000     -0.2643000    
 C   0.9289000     -0.4562000     -0.6131000    
 C  -0.5712000       3.006600      0.7337000    
 C   -2.938000       2.965000     -0.1313000    
 C   -2.749100     -0.6461000      0.1232000    
 C  -0.5096000      -2.309600      0.1214000    
 C    3.842100      0.4254000      0.7176000    
 C   -1.756600      -2.819000      0.4835000    
 C   -2.876300      -1.987300      0.4844000    
 H   -2.093700       1.653000       1.327700    
 H    3.479000     -0.2902000      -1.296500    
 H    4.028400      -1.544700     -0.1690000    
 H  -0.8217000       3.763300       1.483300    
 H   0.2479000       2.390400       1.120200    
 H  -0.1894000       3.510900     -0.1608000    
 H   -3.252500       3.718800      0.5970000    
 H   -3.797200       2.328100     -0.3639000    
 H   -2.664200       3.472700      -1.062800    
 H    1.908000      -1.784700      0.6844000    
 H   0.3299000      -2.998600      0.1042000    
 H   -3.635000     -1.7999999E-02  0.1198000    
 H    3.772000      5.5500001E-02   1.746600    
 H    3.186500       1.300600      0.6487000    
 H   -1.857800      -3.865200      0.7573000    
 H   -3.847900      -2.385300      0.7624000    
 H    5.285000       1.172400     -0.5159000    
 H    5.829100      2.0300001E-02  0.4964000    


%chk=000054064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054064

0 1
O -0.901183 1.198472 0.500104
O 1.148826 0.303650 -1.554388
N 2.077718 -1.145818 0.014598
N 5.379935 0.815426 0.173153
C -1.887735 2.292154 0.744280
C -1.336778 -0.116292 0.331660
C -0.352617 -1.031907 -0.147030
C 3.466022 -0.793364 -0.321557
C 0.997766 -0.541935 -0.621226
C -1.035126 3.477198 1.207007
C -2.678925 2.583000 -0.542240
C -2.634817 -0.584251 0.661047
C -0.681872 -2.403667 -0.251728
C 4.014775 0.398564 0.524615
C -1.971160 -2.876154 0.085498
C -2.943713 -1.957151 0.535713
H -2.568755 1.980158 1.564156
H 3.482005 -0.507703 -1.388650
H 4.112372 -1.682556 -0.186859
H -1.677540 4.351007 1.418021
H -0.474039 3.221000 2.121800
H -0.310524 3.750575 0.420790
H -3.395865 3.406914 -0.371107
H -3.244045 1.699650 -0.886288
H -1.984095 2.880021 -1.346720
H 1.890753 -1.737572 0.825989
H 0.072743 -3.100390 -0.635128
H -3.401702 0.105473 1.024897
H 3.990546 0.131964 1.599074
H 3.333016 1.257411 0.390937
H -2.213721 -3.938828 -0.014861
H -3.950715 -2.304478 0.793144
H 5.473497 1.244638 -0.751224
H 6.111155 0.124390 0.361625


