%chk=000052389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052389

0 1
 O    0.000000       2.637700      3.9999999E-04
 N   -2.217700      -3.392300      3.9999999E-04
 N    2.217100      -3.393400     -9.9999997E-05
 C    1.137500      0.3483000      9.9999997E-05
 C   -1.137400      0.3483000       0.000000    
 C   9.9999997E-05 -0.6885000      1.9999999E-04
 C    0.000000       1.423200     -3.9999999E-04
 C    1.997600      0.3352000      -1.271400    
 C    1.997400      0.3357000       1.271600    
 C   -1.997400      0.3350000      -1.271500    
 C   -1.997400      0.3358000       1.271500    
 C    2.987400       1.498600      -1.262000    
 C    2.987400       1.499100       1.261700    
 C   -2.987400       1.498400      -1.262200    
 C   -2.987200       1.499300       1.261700    
 C    3.847100       1.493900     -9.9999997E-05
 C   -3.846900       1.493900     -1.9999999E-04
 C    0.000000      -2.025500      1.9999999E-04
 C   -1.225000      -2.791100      3.0000001E-04
 C    1.224800      -2.791600     -9.9999997E-05
 H    1.371800      0.4011000      -2.169900    
 H    2.559100     -0.6038000      -1.343800    
 H    2.558900     -0.6034000       1.344500    
 H    1.371600      0.4021000       2.170100    
 H   -2.559000     -0.6041000      -1.343900    
 H   -1.371600      0.4009000      -2.170100    
 H   -1.371500      0.4021000       2.170000    
 H   -2.558900     -0.6033000       1.344500    
 H    2.446100       2.449800      -1.328300    
 H    3.632700       1.437900      -2.145800    
 H    3.632600       1.438600       2.145500    
 H    2.446100       2.450400       1.327700    
 H   -3.632800       1.437400      -2.145900    
 H   -2.446100       2.449600      -1.328700    
 H   -2.445900       2.450500       1.327500    
 H   -3.632500       1.438900       2.145400    
 H    4.492700      0.6070000      9.9999997E-05
 H    4.505900       2.369400     -1.9999999E-04
 H   -4.505800       2.369600     -5.0000002E-04
 H   -4.492600      0.6072000      9.9999997E-05


%chk=000052389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052389

0 1
O 0.000077 2.649326 -0.000144
N -2.257675 -3.443001 -0.000413
N 2.259308 -3.439726 0.001996
C 1.135936 0.328310 -0.000090
C -1.136037 0.328432 -0.000101
C -0.000104 -0.704251 0.000037
C 0.000006 1.404468 -0.000376
C 2.028720 0.333824 -1.281875
C 2.028580 0.334280 1.281787
C -2.028841 0.334061 -1.281870
C -2.028660 0.334509 1.281794
C 3.014401 1.525777 -1.274176
C 3.014254 1.526237 1.273766
C -3.014374 1.526137 -1.274154
C -3.014180 1.526594 1.273788
C 3.890121 1.524685 -0.000154
C -3.890071 1.525152 -0.000116
C -0.000156 -2.076872 0.000233
C -1.230252 -2.830937 0.000393
C 1.229862 -2.831071 0.000303
H 1.392845 0.361708 -2.187391
H 2.592738 -0.620254 -1.306421
H 2.592603 -0.619786 1.306732
H 1.392610 0.362477 2.187227
H -2.592981 -0.619944 -1.306411
H -1.392977 0.361870 -2.187396
H -1.392671 0.362628 2.187223
H -2.592803 -0.619483 1.306749
H 2.446718 2.474608 -1.331172
H 3.650618 1.471253 -2.178216
H 3.650368 1.472043 2.177898
H 2.446565 2.475090 1.330353
H -3.650615 1.471694 -2.178182
H -2.446575 2.474899 -1.331159
H -2.446370 2.475376 1.330363
H -3.650284 1.472481 2.177932
H 4.540674 0.625814 0.000046
H 4.558351 2.406291 -0.000275
H -4.558193 2.406840 -0.000223
H -4.540734 0.626361 0.000096


