%chk=000044926.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044926

0 1
 O    2.163200      0.4711000      -2.043400    
 O    1.555700       2.358400      0.4862000    
 N  -0.9815000       2.408700     -0.5894000    
 N  -8.2900003E-02   1.380500     -0.8209000    
 C    2.081200      0.2478000     -0.6207000    
 C   -2.346800       1.907300     -0.6715000    
 C   -2.554100      0.8043000      0.3825000    
 C    1.439300      -1.119000     -0.3695000    
 C    3.473400      0.3060000      2.1100000E-02
 C    1.177200       1.437000     -0.2374000    
 C   -3.303700       3.084600     -0.4832000    
 C   -3.932900      0.1895000      0.3511000    
 C   0.6744000      -1.289000      0.7613000    
 C    3.576100      0.1260000       1.379500    
 C    1.651800      -2.124200      -1.284400    
 C    4.559200      0.5349000     -0.7893000    
 C   -4.940100      0.7411000       1.126800    
 C   -4.166000     -0.9148000     -0.4531000    
 C   8.9299999E-02  -2.534300      0.9902000    
 C    4.841900      0.1785000       1.963200    
 C    1.066500      -3.369400      -1.055400    
 C    5.824900      0.5873000     -0.2055000    
 C   0.2854000      -3.574500      8.1900001E-02
 C    5.966200      0.4091000       1.170800    
 C   -6.213800      0.1734000       1.097800    
 C   -5.439900      -1.482300     -0.4821000    
 C   -6.463800     -0.9381000      0.2933000    
 H   -2.526000       1.494000      -1.673800    
 H   -2.360000       1.199100       1.389800    
 H   -1.837300     -1.3500000E-02  0.2512000    
 H  -0.8260000       3.107600      -1.315200    
 H   -3.066200       3.897000      -1.180500    
 H   -3.249400       3.491300      0.5329000    
 H   -4.339700       2.796700     -0.6866000    
 H  -0.3551000      0.6330000      -1.451800    
 H   0.5039000     -0.4955000       1.481400    
 H    2.719900     -2.8500000E-02   2.024600    
 H    2.269100      -1.993000      -2.167200    
 H    4.486500      0.6770000      -1.861900    
 H    1.331800      0.1913000      -2.462400    
 H   -4.756200       1.603500       1.761000    
 H   -3.375500      -1.344300      -1.061900    
 H  -0.5204000      -2.693500       1.874800    
 H    4.951600      4.5899998E-02   3.035700    
 H    1.222000      -4.180800      -1.760500    
 H    6.700900      0.7670000     -0.8219000    
 H  -0.1701000      -4.544100      0.2603000    
 H    6.951600      0.4515000       1.625500    
 H   -7.010800      0.5963000       1.702500    
 H   -5.634700      -2.347700      -1.108900    
 H   -7.455600      -1.380200      0.2708000    


%chk=000044926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044926

0 1
O 2.816241 0.792526 -2.061421
O 1.144482 2.402055 0.287774
N -1.118752 2.248726 -1.460320
N -0.040701 1.338480 -1.443284
C 2.129580 0.371414 -0.815597
C -2.432810 1.684135 -1.055804
C -2.440276 1.423296 0.479674
C 1.498572 -1.033549 -0.999477
C 3.203569 0.317965 0.278242
C 1.027714 1.469543 -0.539061
C -3.530002 2.673166 -1.488249
C -3.633537 0.597392 0.932440
C 0.561080 -1.539500 -0.060210
C 2.861188 0.382221 1.651000
C 1.886329 -1.852517 -2.088043
C 4.557738 0.129948 -0.088532
C -4.719665 1.191283 1.625016
C -3.695158 -0.793817 0.649509
C 0.015088 -2.831344 -0.214960
C 3.859502 0.253494 2.640748
C 1.339721 -3.147367 -2.242608
C 5.555489 0.003473 0.903029
C 0.400443 -3.641326 -1.309601
C 5.210649 0.060336 2.272400
C -5.836129 0.421124 2.025108
C -4.808905 -1.567276 1.044833
C -5.885562 -0.961617 1.734673
H -2.614450 0.704823 -1.567302
H -2.409078 2.401723 0.991648
H -1.499907 0.900254 0.737099
H -1.142316 2.794899 -2.331036
H -3.565145 2.785306 -2.588771
H -3.345914 3.666407 -1.039809
H -4.517240 2.315180 -1.152509
H -0.152225 0.425536 -1.913752
H 0.264563 -0.930528 0.802564
H 1.826836 0.565421 1.957011
H 2.627970 -1.471228 -2.797094
H 4.822220 0.102644 -1.148792
H 2.127806 1.076780 -2.717087
H -4.684558 2.262509 1.859127
H -2.858934 -1.274128 0.123947
H -0.702372 -3.209167 0.522664
H 3.582479 0.315143 3.699138
H 1.653298 -3.771264 -3.087253
H 6.600841 -0.136795 0.605196
H -0.020797 -4.645751 -1.427966
H 5.984264 -0.037217 3.042544
H -6.662687 0.897735 2.564492
H -4.837279 -2.639941 0.820627
H -6.748764 -1.560604 2.045837


