%chk=000022768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022768

0 1
 O    1.318500     -0.4092000      -1.972800    
 N   0.4102000       1.533700      0.1148000    
 C    1.399200      0.4623000      0.2890000    
 C  -0.9380000      0.9956000      0.1659000    
 C   -1.977100       2.103800     -8.3999997E-03
 C    2.806800       1.019100      0.2252000    
 C    1.156800     -0.6526000     -0.7591000    
 C   -3.382200       1.561400      6.5200001E-02
 C   0.7482000      -1.983700     -0.3401000    
 C    3.797400      0.4364000      0.9952000    
 C    3.068700       2.096600     -0.6018000    
 C   -4.009200       1.135100      -1.096000    
 C   -4.024200       1.497500       1.292700    
 C    5.093400      0.9487000      0.9363000    
 C    4.364800       2.608600     -0.6607000    
 C    1.148500      -2.477700      0.9016000    
 C  -4.4399999E-02  -2.766700      -1.179400    
 C    5.377200       2.034700      0.1084000    
 C   -5.308900      0.6331000      -1.028100    
 C   -5.323900      0.9954000       1.360500    
 C   0.7566000      -3.754500       1.303800    
 C  -0.4365000      -4.043500     -0.7771000    
 C   -5.966100      0.5633000      0.2001000    
 C  -3.5999998E-02  -4.537300      0.4645000    
 H    1.243300      8.1000000E-02   1.303300    
 H   -1.112800      0.2672000     -0.6334000    
 H   -1.107600      0.4836000       1.122100    
 H   0.5264000       2.230000      0.8514000    
 H   -1.830900       2.615100     -0.9693000    
 H   -1.844900       2.875400      0.7619000    
 H    3.591300     -0.4067000       1.646200    
 H    2.308200       2.552700      -1.228200    
 H   -3.504800       1.183300      -2.056800    
 H   -3.531700       1.829500       2.202200    
 H    5.881700      0.5021000       1.535400    
 H    4.587400       3.451200      -1.308900    
 H    1.787900      -1.918000       1.574400    
 H  -0.3713000      -2.397600      -2.148100    
 H    6.386600       2.432800      6.1700001E-02
 H   -5.808700      0.2959000      -1.931400    
 H   -5.835600      0.9403000       2.316900    
 H    1.073500      -4.142200       2.267600    
 H   -1.054600      -4.652900      -1.429900    
 H   -6.977900      0.1720000      0.2530000    
 H  -0.3403000      -5.531900      0.7771000    


%chk=000022768-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022768

0 1
O 0.052834 -0.688278 -1.772170
N 0.000810 1.286879 0.166856
C 0.877426 0.129476 0.393603
C -1.446948 1.080523 0.355747
C -2.219489 2.382062 0.025481
C 2.339410 0.591190 0.345697
C 0.646569 -0.968243 -0.693114
C -3.723698 2.201354 0.162303
C 1.155717 -2.363926 -0.447102
C 3.167950 0.533101 1.491826
C 2.857162 1.129465 -0.860209
C -4.467940 1.572756 -0.870513
C -4.410431 2.617559 1.331347
C 4.501814 0.998140 1.436161
C 4.189411 1.592380 -0.916876
C 1.760462 -2.782487 0.769735
C 1.014415 -3.308332 -1.501985
C 5.016691 1.525644 0.229653
C -5.858930 1.365294 -0.738712
C -5.802720 2.412197 1.468662
C 2.209872 -4.111281 0.924718
C 1.464545 -4.633231 -1.348016
C -6.532204 1.784071 0.433233
C 2.064131 -5.040229 -0.131323
H 0.694076 -0.349882 1.388887
H -1.777313 0.285195 -0.335815
H -1.709224 0.749317 1.392335
H 0.356672 2.126741 0.638984
H -1.946791 2.674879 -1.005329
H -1.872164 3.190946 0.699819
H 2.767915 0.136264 2.434016
H 2.204446 1.186528 -1.738182
H -3.951745 1.249865 -1.783439
H -3.850763 3.110464 2.136575
H 5.134562 0.952501 2.329660
H 4.583956 2.004093 -1.852647
H 1.886702 -2.082163 1.599966
H 0.545607 -2.970929 -2.432289
H 6.051229 1.884078 0.183910
H -6.417894 0.882068 -1.548369
H -6.317176 2.743969 2.378009
H 2.673488 -4.422630 1.867141
H 1.350484 -5.349255 -2.169224
H -7.611829 1.626151 0.535804
H 2.413902 -6.071385 -0.007912


