%chk=000094263.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094263

0 1
 O   -2.870500     -0.4491000      0.2008000    
 N   0.3261000       1.316800     -0.1845000    
 C  -0.5878000      0.2540000      0.2527000    
 C  -0.1175000      -1.113700     -0.2611000    
 C    1.316500      -1.404000      0.1734000    
 C    2.236500     -0.2509000     -0.2127000    
 C    1.690800       1.083800      0.2889000    
 C   -1.994100      0.5632000     -0.2575000    
 H  -0.6179000      0.2207000       1.350400    
 H  -0.1774000      -1.147700      -1.357000    
 H  -0.7598000      -1.916000      0.1195000    
 H    1.667500      -2.334700     -0.2859000    
 H    1.347500      -1.548900       1.260300    
 H    3.237200     -0.4216000      0.1998000    
 H    2.341600     -0.2182000      -1.304600    
 H    1.720300       1.118700       1.384800    
 H    2.334000       1.892800     -7.4100003E-02
 H  -2.9000000E-03   2.215700      0.1669000    
 H   -2.042200      0.6107000      -1.351400    
 H   -2.350400       1.519900      0.1392000    
 H   -2.781100      -1.213000     -0.3936000    


%chk=000094263-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094263

0 1
O -3.050203 -0.367643 0.168013
N 0.330107 1.287483 -0.159706
C -0.610938 0.222721 0.262607
C -0.104985 -1.137236 -0.273070
C 1.350905 -1.411711 0.175931
C 2.275904 -0.240259 -0.229559
C 1.718875 1.091044 0.316675
C -2.013346 0.571009 -0.282992
H -0.686874 0.141656 1.377955
H -0.154008 -1.116394 -1.381060
H -0.765855 -1.950577 0.089361
H 1.713671 -2.362377 -0.258828
H 1.375942 -1.531698 1.279143
H 3.301043 -0.401588 0.155812
H 2.333146 -0.175928 -1.333275
H 1.786199 1.069302 1.435158
H 2.334945 1.938098 -0.037998
H -0.026563 2.224853 0.072133
H -1.966312 0.631733 -1.391068
H -2.346901 1.548988 0.109281
H -2.878352 -1.252975 -0.240213


