%chk=000047552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047552

0 1
 O    3.477100     -0.9893000     -0.1823000    
 O  -0.1546000       2.235000      0.6207000    
 O   -3.140200     -0.2869000      -1.121400    
 N    1.072400      0.4803000     -0.2759000    
 N   -2.022300      0.5368000      -1.266900    
 N   -3.142000     -0.9207000      0.1228000    
 C    2.356100       1.151600     -6.9799997E-02
 C    1.175500     -0.8257000     -0.9409000    
 C    3.350600      0.2076000      0.5896000    
 C    2.230800      -1.685800     -0.2551000    
 C  -0.1172000       1.117100      0.1076000    
 C   -1.364600      0.3962000     -0.1215000    
 C   -2.035600     -0.4814000      0.7198000    
 C   -1.686100     -0.9349000       2.073300    
 H    2.237800       2.059300      0.5291000    
 H    2.715300       1.444300      -1.063500    
 H    1.475300     -0.6187000      -1.975000    
 H   0.2199000      -1.352700     -0.9667000    
 H    4.337100      0.6783000      0.6446000    
 H    3.043200     -4.9899999E-02   1.610100    
 H    1.916200      -1.969100      0.7565000    
 H    2.392600      -2.606100     -0.8249000    
 H   -1.578200     -8.0700003E-02   2.749500    
 H   -2.450100      -1.598100       2.492300    
 H  -0.7377000      -1.482000       2.060900    


%chk=000047552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047552

0 1
O 3.804893 -0.536527 -1.040062
O 0.171604 0.593974 2.039395
O -2.463230 -2.223653 -0.343839
N 1.215294 0.185577 -0.004530
N -1.098653 -1.751944 -0.372826
N -3.252460 -1.405037 0.564413
C 2.430525 0.913664 0.439425
C 1.344491 -0.371130 -1.373346
C 3.654109 -0.019024 0.330631
C 2.595842 -1.273695 -1.442457
C 0.156723 0.063514 0.876745
C -1.072096 -0.704108 0.477653
C -2.394111 -0.494152 1.059831
C -2.838209 0.540505 2.049121
H 2.272748 1.253835 1.475626
H 2.575610 1.793658 -0.216602
H 1.466489 0.473709 -2.079493
H 0.450568 -0.951254 -1.644305
H 4.585222 0.530855 0.542695
H 3.549714 -0.862793 1.045766
H 2.453822 -2.161606 -0.790406
H 2.781241 -1.602141 -2.477786
H -2.697422 1.556585 1.640069
H -3.901191 0.396343 2.298016
H -2.220224 0.479346 2.959169


