%chk=000005523.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005523

0 1
 O  -0.4836000       1.256000      -1.652500    
 O    4.292100      0.1866000     -0.9419000    
 N   -2.860100      -2.032400     -0.3341000    
 C   -1.742500      9.4200000E-02  7.8299999E-02
 C  -0.5091000      0.9985000     -0.2402000    
 C   -3.077500      0.8322000     -0.1439000    
 C  -0.6234000       2.367400      0.4749000    
 C   -3.132500       2.155900      0.6104000    
 C   -1.965300       3.062400      0.2444000    
 C   -1.751200      -1.204300     -0.7416000    
 C   0.8141000      0.3333000      0.1664000    
 C    1.963600      0.5670000     -0.5822000    
 C   0.8546000     -0.4988000       1.280900    
 C   -2.765700      -2.382500       1.090000    
 C   -2.932200      -3.258100      -1.141200    
 C    3.165200     -3.7200000E-02 -0.2125000    
 C    2.056100      -1.103200       1.650400    
 C    3.211500     -0.8724000      0.9036000    
 C    5.485900     -0.4644000     -0.5090000    
 H   -1.718500     -0.1093000       1.150700    
 H   -3.930400      0.2276000      0.1843000    
 H   -3.223500       1.025900      -1.214600    
 H   0.1726000       3.040000      0.1295000    
 H  -0.4811000       2.236900       1.556000    
 H   -3.123000       1.963000       1.690200    
 H   -4.076200       2.666500      0.3869000    
 H   -2.049100       3.362500     -0.8071000    
 H   -2.010000       3.980500      0.8410000    
 H  -0.8037000      -1.745900     -0.6377000    
 H   -1.858600     -0.9597000      -1.805900    
 H  -0.2012000      0.4485000      -2.114200    
 H    1.955300       1.225800      -1.446100    
 H  -3.0000001E-04 -0.6877000       1.918000    
 H   -3.020700      -1.544600       1.744800    
 H   -1.776900      -2.771000       1.359800    
 H   -3.501900      -3.157100       1.339100    
 H   -3.033200      -3.011600      -2.204100    
 H   -3.816700      -3.845900     -0.8715000    
 H   -2.043600      -3.887000      -1.014300    
 H    2.093500      -1.747400       2.524200    
 H    4.110600      -1.372100       1.247500    
 H    6.281700     -0.1751000      -1.203300    
 H    5.393000      -1.554300     -0.5654000    
 H    5.791100     -0.1245000      0.4865000    


%chk=000005523-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005523

0 1
O -0.463117 1.401788 -1.607817
O 4.198398 -0.035543 -1.040026
N -2.774248 -2.154868 -0.231852
C -1.803858 0.158476 0.086441
C -0.536432 1.048079 -0.165412
C -3.100885 0.923705 -0.268818
C -0.675140 2.415263 0.560965
C -3.217660 2.258284 0.498714
C -1.987847 3.151109 0.215563
C -1.735748 -1.190385 -0.676349
C 0.773908 0.367592 0.283535
C 1.920589 0.430886 -0.535678
C 0.872197 -0.283964 1.545657
C -2.459356 -2.781869 1.067734
C -3.082645 -3.167476 -1.261864
C 3.139690 -0.162719 -0.124164
C 2.088686 -0.865459 1.952268
C 3.235930 -0.820465 1.125225
C 5.486298 -0.626215 -0.671593
H -1.829652 -0.053696 1.174786
H -3.960886 0.260909 -0.061102
H -3.099058 1.136194 -1.357026
H 0.202845 3.031283 0.291565
H -0.621191 2.229709 1.652006
H -3.287605 2.057159 1.589107
H -4.148343 2.784080 0.210031
H -1.972917 3.424691 -0.856153
H -2.044089 4.091983 0.797306
H -0.710648 -1.632762 -0.587672
H -1.917831 -0.994192 -1.752869
H -0.335320 0.567286 -2.128141
H 1.889719 0.959330 -1.492970
H 0.004283 -0.339711 2.211358
H -2.338443 -2.011816 1.848859
H -1.522472 -3.395639 1.042167
H -3.294014 -3.438722 1.371941
H -3.409106 -2.667254 -2.190949
H -3.910920 -3.810791 -0.912839
H -2.215731 -3.832079 -1.511177
H 2.152121 -1.365632 2.925589
H 4.168938 -1.283581 1.459461
H 6.154632 -0.407964 -1.517580
H 5.403868 -1.722554 -0.535372
H 5.892258 -0.168250 0.251645


