%chk=000049178.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049178

0 1
 O   0.7906000       2.243300     -0.6246000    
 O  -0.9195000      -1.024200       2.173800    
 O    2.960200      -1.832800     -0.1149000    
 N    1.836100      0.1642000     -0.5621000    
 N   0.9855000      -1.430600      0.9623000    
 C  -0.4790000      0.3878000      0.2545000    
 C   -1.262000     -0.2365000     -0.9148000    
 C   -1.357400       1.449200      0.9357000    
 C   -2.543500     -0.8969000     -0.3831000    
 C   0.7680000       1.046400     -0.3325000    
 C  -0.1727000     -0.7251000       1.243200    
 C   -1.545100      0.8325000      -1.968100    
 C  -0.6416000       2.067400       2.115400    
 C   -3.354700      -1.596800      -1.464100    
 C    1.991400      -1.089300      6.0800001E-02
 C    2.943600      0.6414000      -1.381600    
 H  -0.6557000      -1.016900      -1.395400    
 H   -2.290000       1.042100       1.335700    
 H   -1.628100       2.266800      0.2602000    
 H   -3.222800     -0.1758000      7.8500003E-02
 H   -2.318900      -1.666100      0.3600000    
 H   -2.243500       1.601600      -1.627500    
 H   -2.013400      0.3691000      -2.844600    
 H  -0.6468000       1.313100      -2.362200    
 H  -0.4183000       1.345500       2.905800    
 H   0.2936000       2.561000       1.836700    
 H   -1.280100       2.836100       2.566100    
 H    1.149000      -2.265800       1.517800    
 H   -4.186200      -2.148100      -1.012200    
 H   -2.738800      -2.311900      -2.018600    
 H   -3.784900     -0.8833000      -2.173000    
 H    2.610400       1.412600      -2.081600    
 H    3.387900     -0.1866000      -1.941800    
 H    3.702700       1.064100     -0.7159000    


%chk=000049178-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049178

0 1
O 0.819061 2.261088 -0.625618
O -0.913503 -1.193125 2.150934
O 2.968782 -1.860964 -0.282796
N 1.840259 0.183198 -0.586973
N 0.973056 -1.501767 0.855599
C -0.511339 0.419182 0.317647
C -1.360343 -0.185001 -0.925728
C -1.316364 1.484950 1.108599
C -2.746125 -0.728498 -0.470175
C 0.753386 1.048898 -0.292672
C -0.184998 -0.783940 1.209326
C -1.520684 0.833453 -2.079392
C -0.554379 2.090948 2.307518
C -3.318168 -1.778538 -1.449614
C 1.988184 -1.111397 -0.039022
C 2.955548 0.727226 -1.398491
H -0.771640 -1.045539 -1.310468
H -2.242955 1.009841 1.472245
H -1.594125 2.292999 0.409793
H -3.454088 0.118616 -0.383332
H -2.671868 -1.184293 0.534157
H -1.995087 1.768057 -1.732691
H -2.167525 0.396887 -2.860935
H -0.560703 1.100955 -2.551749
H -0.284408 1.315139 3.046128
H 0.361524 2.613519 1.980561
H -1.191746 2.830914 2.823942
H 1.142011 -2.386831 1.344798
H -4.307090 -2.131640 -1.105389
H -2.653110 -2.659978 -1.518918
H -3.447587 -1.371865 -2.469330
H 2.549364 1.195134 -2.308540
H 3.627125 -0.104843 -1.652687
H 3.505535 1.494717 -0.828828


