%chk=000074840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074840

0 1
 O   0.7217000      0.2405000     -0.2340000    
 O   -2.485200       2.504200      0.8399000    
 O   -4.572800       2.003800      0.1303000    
 O  -0.7731000      0.9530000      -1.825400    
 N   -1.476900      0.1289000      0.2266000    
 C   -3.264800      -2.312000      0.4791000    
 C   -3.688200     -0.8485000      0.7404000    
 C   -2.897400      0.2610000      3.1099999E-02
 C   -3.371200      -2.607700      -1.021800    
 C   -1.854600      -2.642300      0.9627000    
 C   -3.417500       1.654300      0.3470000    
 C  -0.5329000      0.4855000     -0.7171000    
 C    1.804000      0.5657000      -1.113600    
 C    3.101800      0.2383000     -0.4352000    
 C    3.737000       1.203500      0.3383000    
 C    3.657200      -1.027500     -0.5857000    
 C    4.943200      0.8993000      0.9691000    
 C    4.863400      -1.331700      4.5400001E-02
 C    5.506400     -0.3683000      0.8227000    
 H   -3.971100      -2.958700       1.014900    
 H   -3.635600     -0.6719000       1.823900    
 H   -4.750700     -0.7419000      0.4823000    
 H   -3.064700      0.1621000      -1.049700    
 H   -2.630900      -2.054300      -1.608300    
 H   -4.367600      -2.356900      -1.400800    
 H   -3.205600      -3.674400      -1.209100    
 H   -1.742400      -3.730900       1.035000    
 H   -1.668100      -2.234900       1.961300    
 H   -1.071100      -2.307000      0.2786000    
 H   -1.138200     -0.1358000       1.146500    
 H    1.767200       1.632600      -1.366900    
 H    1.708200     -6.2000002E-03  -2.045000    
 H   -2.854700       3.397500       1.006500    
 H    3.306000       2.193300      0.4609000    
 H    3.163700      -1.786100      -1.186900    
 H    5.443600       1.649100       1.574900    
 H    5.301800      -2.318900     -6.8000004E-02
 H    6.445400     -0.6054000       1.314200    


%chk=000074840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074840

0 1
O 1.013374 -1.403280 0.851909
O -1.941942 1.300539 2.794322
O -3.138538 2.477304 1.186413
O -0.078202 -0.600367 -1.086891
N -1.055073 -0.492697 1.047023
C -3.776715 -1.657501 -0.473883
C -3.577164 -0.627823 0.676355
C -2.264316 0.226068 0.637083
C -3.714870 -0.994658 -1.871656
C -2.830993 -2.881243 -0.401264
C -2.491621 1.461607 1.511401
C -0.051280 -0.798210 0.159807
C 2.211297 -1.751008 0.013003
C 3.201436 -0.608198 -0.057576
C 3.075930 0.388214 -1.060743
C 4.268591 -0.522073 0.872280
C 4.000907 1.453252 -1.127263
C 5.194774 0.542933 0.806335
C 5.062441 1.533028 -0.195106
H -4.811826 -2.035967 -0.328290
H -3.625816 -1.146111 1.654805
H -4.424567 0.085640 0.640979
H -2.102406 0.585866 -0.393465
H -2.682309 -0.689746 -2.123599
H -4.368339 -0.103518 -1.929650
H -4.044480 -1.707542 -2.649808
H -3.166815 -3.662442 -1.108838
H -2.815852 -3.324865 0.611764
H -1.798605 -2.608474 -0.677486
H -0.885714 -0.643537 2.042967
H 1.848223 -2.036167 -0.989362
H 2.630107 -2.625116 0.536102
H -2.136384 2.105703 3.345245
H 2.244338 0.326277 -1.771628
H 4.372280 -1.290069 1.649016
H 3.896579 2.218090 -1.904955
H 6.017256 0.599136 1.528234
H 5.781596 2.358256 -0.249483


