%chk=000048437.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048437

0 1
 O  -0.9933000      -1.649900      6.1200000E-02
 O   -4.688200      0.9121000      -1.046700    
 O  -0.8229000       2.988800      0.2538000    
 O    2.775800      -1.892800     -0.3481000    
 N  -0.8855000      0.6570000      0.3559000    
 N   -2.760900       1.925700     -0.3251000    
 C   -3.082400     -0.4441000      0.1587000    
 C   -3.695500      -1.659800     -0.5541000    
 C   -3.545800     -0.4362000       1.626700    
 C   -1.559100     -0.5599000      0.1629000    
 C   -3.595500      0.8323000     -0.4874000    
 C   0.5384000      0.6002000      0.6648000    
 C   -3.295500      -1.690400      -2.011900    
 C   -3.048700      -1.662600       2.360000    
 C   -1.442900       1.929700      0.1262000    
 C    1.376100      0.5839000     -0.6144000    
 C    2.850600      0.5026000     -0.3092000    
 C    3.472400     -0.7321000     -0.1923000    
 C    3.564700       1.681700     -0.1494000    
 C    4.837200     -0.7893000      9.0300001E-02
 C    4.929600       1.624400      0.1334000    
 C    5.565600      0.3890000      0.2533000    
 C    3.505600      -3.110100     -0.2086000    
 H   -4.790500      -1.643700     -0.4840000    
 H   -3.367100      -2.608300     -0.1168000    
 H   -4.641100     -0.3944000       1.683100    
 H   -3.179900      0.4575000       2.148400    
 H   0.8089000       1.462500       1.286200    
 H   0.7381000     -0.2983000       1.261700    
 H   -3.133100       2.823500     -0.6223000    
 H   -3.662300     -0.8265000      -2.572900    
 H   -2.213300      -1.751400      -2.157000    
 H   -3.728000      -2.578000      -2.487900    
 H   -3.444100      -2.598800       1.959900    
 H   -1.958600      -1.724300       2.412300    
 H   -3.395600      -1.612000       3.399400    
 H    1.176000       1.485400      -1.208700    
 H    1.077300     -0.2487000      -1.263900    
 H    3.078900       2.649400     -0.2383000    
 H    5.398500      -1.711000      0.1978000    
 H    5.496700       2.541800      0.2609000    
 H    6.628400      0.3458000      0.4737000    
 H    4.277700      -3.209000     -0.9792000    
 H    2.796200      -3.929700     -0.3637000    
 H    3.907900      -3.226300      0.8036000    


%chk=000048437-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048437

0 1
O -1.009500 -1.734471 0.236822
O -4.823236 1.102269 -0.577097
O -0.650770 2.920314 0.281942
O 2.788376 -1.774552 -0.014341
N -0.822193 0.578777 0.363813
N -2.722114 1.946059 -0.117827
C -3.118533 -0.495077 0.201921
C -3.720721 -1.590084 -0.724914
C -3.640681 -0.664815 1.696669
C -1.584174 -0.613544 0.235543
C -3.635035 0.885924 -0.222322
C 0.649049 0.475658 0.590936
C -3.335983 -1.433574 -2.211251
C -3.364249 -2.034702 2.346630
C -1.348942 1.876507 0.192837
C 1.455236 0.566414 -0.732942
C 2.951417 0.563049 -0.469595
C 3.619064 -0.642698 -0.100165
C 3.721898 1.742926 -0.566014
C 5.011173 -0.661598 0.150916
C 5.114857 1.742514 -0.313285
C 5.754693 0.536901 0.043182
C 3.406353 -3.060770 0.310673
H -4.819842 -1.548279 -0.616668
H -3.372304 -2.570732 -0.359596
H -4.730911 -0.477991 1.660250
H -3.195627 0.137543 2.318889
H 0.937290 1.299596 1.263798
H 0.836750 -0.496816 1.070584
H -3.076565 2.890120 -0.304139
H -3.696814 -0.475110 -2.626004
H -2.241345 -1.494712 -2.351551
H -3.790824 -2.244013 -2.808298
H -3.910240 -2.846744 1.836973
H -2.291153 -2.290357 2.336138
H -3.704469 -2.012580 3.398174
H 1.178526 1.497321 -1.259178
H 1.176846 -0.297963 -1.362742
H 3.217595 2.675556 -0.846363
H 5.519184 -1.590191 0.428285
H 5.689561 2.670660 -0.397254
H 6.832740 0.520849 0.239084
H 4.163855 -3.345822 -0.445218
H 2.578424 -3.784474 0.300516
H 3.874139 -3.041590 1.314489


