%chk=000051951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051951

0 1
 O   -2.313700      0.5595000      0.8304000    
 O    2.291200       1.618800      0.2193000    
 N   -3.066300       3.017500     -0.3123000    
 C   -1.358100       1.428800      0.3958000    
 C   0.9571000       1.963300      8.7399997E-02
 C   -2.351200     -0.6960000      0.2494000    
 C  -1.3500000E-02   1.081000      0.5272000    
 C   -1.709400       2.653000     -0.1731000    
 C    2.656100      0.3554000     -0.1372000    
 C   -2.183000      -1.825700       1.031300    
 C    3.235300     -0.5090000      0.7918000    
 C   0.6280000       3.181700     -0.4793000    
 C  -0.7163000       3.529400     -0.6107000    
 C   -2.558900     -0.7852000      -1.116600    
 C   -2.223900      -3.083300      0.4290000    
 C    2.444200     -7.0500001E-02  -1.448500    
 C    3.602500      -1.799200      0.4095000    
 C   -1.958900      -1.728800       2.504300    
 C    3.469600     -7.0400000E-02   2.199700    
 C   -2.600100      -2.042800      -1.718700    
 C   -2.432500      -3.191700     -0.9460000    
 C    2.811300      -1.360800      -1.830700    
 C    3.390400      -2.225100     -0.9019000    
 H   0.2551000      0.1402000      0.9979000    
 H    1.400000       3.864800     -0.8204000    
 H  -0.9766000       4.486400      -1.056100    
 H   -2.702200      9.8999999E-02  -1.730500    
 H    2.003700      0.5929000      -2.188100    
 H   -2.093600      -3.988200       1.016700    
 H    4.054200      -2.485400       1.121000    
 H   -2.714400      -1.085600       2.967700    
 H   -2.028000      -2.707600       2.991000    
 H  -0.9646000      -1.320800       2.711400    
 H    4.079200      0.8391000       2.220300    
 H    2.515600      0.1252000       2.700000    
 H    4.000000     -0.8315000       2.782000    
 H   -2.764700      -2.127400      -2.788900    
 H   -2.464500      -4.170800      -1.415100    
 H    2.648000      -1.691900      -2.852200    
 H    3.676300      -3.229700      -1.199600    
 H   -3.791000       2.384400     -1.0000000E-03
 H   -3.313600       3.905800     -0.7275000    


%chk=000051951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051951

0 1
O -2.568923 0.398258 0.596898
O 2.305204 1.246298 0.720958
N -3.018227 2.962276 -0.112991
C -1.413899 1.200691 0.380595
C 0.970189 1.650316 0.425823
C -2.595994 -0.978212 0.236184
C -0.101636 0.743074 0.584599
C -1.696019 2.562700 0.050872
C 2.948512 0.288012 -0.105099
C -3.460482 -1.795027 1.013900
C 4.159034 -0.243566 0.422275
C 0.731897 2.998012 0.093340
C -0.593780 3.449892 -0.084340
C -1.878156 -1.484369 -0.869666
C -3.573088 -3.156690 0.641526
C 2.459367 -0.088640 -1.375855
C 4.860057 -1.178255 -0.374697
C -4.225934 -1.215808 2.186266
C 4.657070 0.193624 1.784235
C -2.011257 -2.847426 -1.213454
C -2.858816 -3.688044 -0.457292
C 3.185232 -1.024915 -2.146815
C 4.386507 -1.574902 -1.648364
H 0.091794 -0.295276 0.869640
H 1.578925 3.681702 -0.013083
H -0.780007 4.500584 -0.334752
H -1.230357 -0.823361 -1.453211
H 1.534706 0.353074 -1.760156
H -4.230726 -3.808043 1.229492
H 5.793778 -1.602063 0.014384
H -4.991717 -0.492039 1.848770
H -4.734528 -2.011631 2.756457
H -3.554632 -0.664540 2.868646
H 4.873804 1.277827 1.800723
H 3.891776 0.020390 2.562680
H 5.575228 -0.351115 2.063273
H -1.455168 -3.245096 -2.069234
H -2.962452 -4.746475 -0.718568
H 2.811373 -1.315628 -3.135030
H 4.950845 -2.301831 -2.242160
H -3.759039 2.281318 0.029344
H -3.251662 3.923707 -0.337410


