%chk=000050420.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050420

0 1
 O    4.095000     -0.3308000     -0.4954000    
 O    3.230600      0.5840000       1.425700    
 N   0.9805000       1.297500     -4.9800001E-02
 N    2.070000      0.6311000     -0.5833000    
 C   -1.477800       1.224400      0.2820000    
 C  -0.2299000      0.5073000     -0.2277000    
 C   -2.733600      0.4023000      0.1270000    
 C   -3.475100      0.5069000      -1.039600    
 C   -3.124300     -0.4428000       1.153900    
 C   -4.636400     -0.2526000      -1.182700    
 C   -4.285400      -1.202500       1.010800    
 C   -5.041400      -1.107300     -0.1576000    
 C    3.138100      0.3215000      0.2304000    
 C    5.270400     -0.7170000      0.2258000    
 C    6.219500      -1.421900     -0.7196000    
 H   -1.350400       1.491000       1.340000    
 H   -1.603900       2.179500     -0.2455000    
 H  -0.1217000     -0.4474000      0.3039000    
 H  -0.3659000      0.2647000      -1.290300    
 H   0.8926000       2.177800     -0.5563000    
 H   -3.166700       1.168200      -1.844200    
 H   -2.541200     -0.5252000       2.066600    
 H   -5.224800     -0.1791000      -2.092600    
 H   -4.600600      -1.868500       1.808800    
 H    2.066600      0.3968000      -1.570700    
 H   -5.945300      -1.699000     -0.2692000    
 H    5.754200      0.1749000      0.6392000    
 H    4.991900      -1.392200       1.042500    
 H    7.130700      -1.731600     -0.2003000    
 H    5.743100      -2.306300      -1.155600    
 H    6.492700     -0.7652000      -1.552200    


%chk=000050420-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050420

0 1
O 4.138148 -0.288652 -0.492542
O 3.084849 0.503602 1.467711
N 0.962904 1.376527 -0.295059
N 2.161682 0.778084 -0.705767
C -1.466301 1.297875 0.169961
C -0.256347 0.555073 -0.450130
C -2.731601 0.455579 0.103621
C -3.656447 0.600681 -0.961923
C -2.989009 -0.528244 1.093762
C -4.807949 -0.216030 -1.039371
C -4.137809 -1.346822 1.020935
C -5.051927 -1.194167 -0.047949
C 3.104132 0.356644 0.226692
C 5.260341 -0.794293 0.343132
C 6.238779 -1.481476 -0.605070
H -1.206571 1.542895 1.216057
H -1.620002 2.256358 -0.365566
H -0.091968 -0.396131 0.087073
H -0.482749 0.301457 -1.514525
H 0.879097 2.348351 -0.617053
H -3.476763 1.362366 -1.731516
H -2.287223 -0.646757 1.928991
H -5.514168 -0.087189 -1.867644
H -4.323045 -2.097996 1.797211
H 2.322014 0.506635 -1.684202
H -5.945321 -1.826150 -0.104684
H 5.719566 0.060250 0.873262
H 4.852887 -1.487562 1.101588
H 7.096201 -1.880305 -0.032705
H 5.752655 -2.320179 -1.132538
H 6.623448 -0.771926 -1.357751


