%chk=000016448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016448

0 1
 O    4.669400      0.3956000      1.0000000E-03
 N    2.724700     -0.9373000      7.9999998E-04
 C  -0.6786000      0.4921000      3.0000001E-04
 C   -2.054000      4.2599998E-02   0.000000    
 C   0.3594000     -0.4397000      1.3000000E-03
 C    1.685300     -6.3999998E-03  6.9999998E-04
 C  -0.3909000       1.857000     -1.2000001E-03
 C    1.973000       1.358600     -1.0000000E-03
 C   0.9349000       2.290200     -1.9000000E-03
 C   -2.717800     -0.1719000       1.208000    
 C   -2.716500     -0.1756000      -1.208000    
 C   -4.043800     -0.6049000       1.208100    
 C   -4.042500     -0.6085000      -1.207900    
 C   -4.706100     -0.8232000      9.9999997E-05
 C    4.104600     -0.6933000     -5.0000002E-04
 C    4.898900      -1.975300      1.9999999E-04
 H   0.1376000      -1.505300      2.3000001E-03
 H   -1.188100       2.596600     -2.0999999E-03
 H    2.972500       1.770400     -2.0000001E-03
 H    1.157700       3.353300     -3.1999999E-03
 H   -2.216300     -6.5000001E-03   2.158700    
 H   -2.214100     -1.3100000E-02  -2.158800    
 H    2.434000      -1.912900      1.7000000E-03
 H   -4.560600     -0.7719000       2.148600    
 H   -4.558500     -0.7785000      -2.148400    
 H   -5.738500      -1.160300       0.000000    
 H    4.680100      -2.544900      0.9077000    
 H    5.968300      -1.748800     -2.8300000E-02
 H    4.639900      -2.573100     -0.8782000    


%chk=000016448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016448

0 1
O 4.736080 0.376554 -0.002618
N 2.769603 -0.911049 -0.002192
C -0.672212 0.553010 -0.000587
C -2.090164 0.054593 -0.000311
C 0.403319 -0.363697 -0.001316
C 1.751453 0.086296 -0.001434
C -0.389717 1.944216 -0.000030
C 2.029991 1.478989 -0.000881
C 0.950968 2.388476 -0.000194
C -2.772302 -0.183366 1.221657
C -2.771417 -0.187410 -1.221979
C -4.105257 -0.654219 1.222324
C -4.104380 -0.658248 -1.222044
C -4.775530 -0.893605 0.000291
C 4.159293 -0.749211 -0.001621
C 4.928244 -2.072398 0.001981
H 0.184584 -1.440013 -0.001710
H -1.215800 2.663043 0.000442
H 3.066505 1.819484 -0.001222
H 1.165057 3.463232 0.000132
H -2.254386 0.003506 2.169349
H -2.252838 -0.003637 -2.169915
H 2.432287 -1.876946 -0.002605
H -4.618769 -0.832565 2.173995
H -4.617226 -0.839703 -2.173486
H -5.809072 -1.257851 0.000519
H 4.714398 -2.657266 0.915966
H 6.004520 -1.850894 -0.030222
H 4.666767 -2.694321 -0.874289


