%chk=000048872.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048872

0 1
 N   -1.507700      0.6845000      0.2025000    
 N   0.5839000     -9.6799999E-02 -0.6682000    
 N   0.2763000       2.197900     -0.1093000    
 N    4.680500     -0.6908000      7.1300000E-02
 N   -1.284100       4.070400      0.4599000    
 C   -2.437100      -1.122600       1.495500    
 C   -3.190200     -0.6820000     -0.8471000    
 C   -2.044400     -0.6672000      0.1212000    
 C   -1.399200      -1.141000       2.567700    
 C   -1.914200      -2.428500       1.994100    
 C   -2.948000     -0.2349000      -2.250300    
 C   -3.182400      -1.686600      -1.950900    
 C  -0.2756000      0.8652000     -0.1598000    
 C    1.960400     -0.2967000     -0.4195000    
 C  -0.5649000       3.198900      0.1958000    
 C    2.732000      -1.016800      -1.322300    
 C    2.542400      0.2273000      0.7275000    
 C    4.076600      -1.184300      -1.033000    
 C    3.895500      4.0000002E-03  0.9250000    
 H   -3.429900     -0.8084000       1.793900    
 H   -4.137900     -0.3941000     -0.4084000    
 H   -1.312700      -1.394800     -0.2381000    
 H   -1.706500     -0.8800000       3.573200    
 H  -0.3784000     -0.8677000       2.332100    
 H   -1.239700      -3.006600       1.374600    
 H   -2.569200      -3.029500       2.613500    
 H   -1.950800      5.2099999E-02  -2.558700    
 H   -3.739800      0.3094000      -2.750900    
 H   -4.131900      -2.115400      -2.248000    
 H   -2.341600      -2.361600      -2.052300    
 H   0.1907000     -0.8263000      -1.255700    
 H    1.224600       2.347500     -0.4371000    
 H    2.307900      -1.438000      -2.227500    
 H    1.978700      0.7772000       1.472600    
 H    4.724300      -1.738100      -1.704700    
 H    4.398700      0.3865000       1.806900    


%chk=000048872-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048872

0 1
N -1.308574 0.651664 0.646548
N 0.663273 0.190101 -0.702064
N 0.454317 2.206564 0.542059
N 4.914076 -0.221800 -1.019858
N -0.487412 3.762104 2.332009
C -3.003182 -0.890618 1.454326
C -2.470424 -0.762418 -1.027814
C -1.912096 -0.690296 0.406407
C -2.623248 -1.273592 2.886017
C -3.335226 -2.294242 1.979862
C -1.757858 -1.553853 -2.153864
C -3.095989 -2.044031 -1.573877
C -0.132986 0.952480 0.192836
C 2.068896 0.085172 -0.775890
C -0.067180 3.019419 1.491363
C 2.657519 -0.464365 -1.950010
C 2.943246 0.466532 0.280830
C 4.057796 -0.598984 -2.018876
C 4.333491 0.298856 0.102824
H -3.837140 -0.188017 1.346695
H -2.952523 0.173693 -1.335700
H -1.148071 -1.496333 0.530515
H -3.184686 -0.821605 3.707767
H -1.563174 -1.436549 3.106301
H -2.744785 -3.141187 1.613018
H -4.380811 -2.538182 2.188180
H -0.879096 -2.162662 -1.902168
H -1.753465 -1.142192 -3.167907
H -3.991501 -1.957049 -2.195203
H -3.074191 -2.934242 -0.939742
H 0.117170 -0.374498 -1.360048
H 1.235330 2.550570 -0.022213
H 2.034333 -0.774148 -2.796860
H 2.560414 0.852272 1.229244
H 4.527030 -1.021815 -2.914342
H 5.023026 0.585450 0.905136


