%chk=000051726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051726

0 1
 O   0.6334000       1.935500       1.517100    
 O   0.4304000      -1.287500      -2.041100    
 O    3.973700      -1.131600      0.8601000    
 N    2.280400      0.3882000       1.162700    
 N    2.182800      -1.182300     -0.5746000    
 C   0.3052000      0.3885000     -0.3070000    
 C  -9.8999999E-03   1.507900      -1.308400    
 C  -0.9577000     -0.1748000      0.2821000    
 C    1.068900      0.9859000      0.8626000    
 C   0.9598000     -0.7566000      -1.062500    
 C   -2.211000      0.1944000     -4.6300001E-02
 C   -3.515900     -0.3287000      0.5044000    
 C    1.260000       2.130100      -1.847100    
 C  -0.7292000      -1.239500       1.323200    
 C    2.885200     -0.6738000      0.5076000    
 C   -3.983600      -1.532200     -0.3150000    
 C   -4.572500      0.7767000      0.4821000    
 H  -0.5936000       2.313900     -0.8439000    
 H  -0.5858000       1.136100      -2.166300    
 H   -2.356100      0.9373000     -0.8262000    
 H   -3.398300     -0.6312000       1.550600    
 H    1.854700       2.608900      -1.063300    
 H    1.892200       1.400300      -2.362200    
 H    1.007800       2.908200      -2.576200    
 H   -1.634000      -1.788700       1.595200    
 H  -0.3342000     -0.8051000       2.247300    
 H  -2.9100001E-02  -2.005500      0.9768000    
 H    2.788800      0.7762000       1.952500    
 H    2.618700      -1.955800      -1.069100    
 H   -3.249700      -2.344800     -0.2836000    
 H   -4.928000      -1.923000      7.8900002E-02
 H   -4.143400      -1.265100      -1.365900    
 H   -4.784600       1.115600     -0.5384000    
 H   -4.244900       1.644800       1.065200    
 H   -5.512600      0.4196000      0.9167000    


%chk=000051726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051726

0 1
O 0.617013 2.123418 1.387859
O 0.651604 -1.384118 -2.002445
O 4.067217 -0.970926 1.113944
N 2.290368 0.544057 1.228281
N 2.300785 -1.163088 -0.405244
C 0.288717 0.367928 -0.308304
C -0.022184 1.429310 -1.413646
C -0.981966 -0.271522 0.342309
C 1.057096 1.091851 0.821783
C 1.072651 -0.783122 -0.982796
C -2.231746 0.059581 -0.080549
C -3.564790 -0.465948 0.423506
C 1.238901 2.060308 -2.042289
C -0.683914 -1.274032 1.446910
C 2.962287 -0.561612 0.679113
C -4.238313 -1.336994 -0.673168
C -4.484391 0.717740 0.825671
H -0.641013 2.218397 -0.951946
H -0.613214 0.927855 -2.199767
H -2.339090 0.788147 -0.895580
H -3.414458 -1.098914 1.318371
H 1.850116 2.595267 -1.292325
H 1.873579 1.304046 -2.540032
H 0.944333 2.797122 -2.810337
H -1.604619 -1.704208 1.869108
H -0.126570 -0.807826 2.282781
H -0.070635 -2.118299 1.075131
H 2.773935 1.015634 2.000305
H 2.793685 -1.949744 -0.841633
H -3.604640 -2.199706 -0.945788
H -5.215606 -1.717347 -0.321244
H -4.415435 -0.743898 -1.590514
H -4.680458 1.374716 -0.043343
H -4.022921 1.331916 1.619457
H -5.458423 0.345910 1.194421


