%chk=000051668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051668

0 1
 O   0.5794000      -1.540200      0.2453000    
 O   -3.247000     -8.9900002E-02 -0.2470000    
 O   -1.654600      -1.968100      0.4626000    
 O   -2.658600       1.954700      0.6655000    
 N    5.303500     -0.6654000     -0.2112000    
 C    1.340100      0.7512000     -4.1400000E-02
 C    1.620100     -0.6068000      7.1400002E-02
 C  -4.4500001E-02   1.192000      2.3700001E-02
 C   -1.029100      0.3008000      0.1891000    
 C    2.399300       1.645700     -0.2134000    
 C    2.924400      -1.094300      1.7400000E-02
 C    3.974700     -0.1954000     -0.1541000    
 C    3.713200       1.171500     -0.2695000    
 C  -0.7549000      -1.148600      0.3114000    
 C   -2.392300      0.8425000      0.2422000    
 C   -4.625900      0.2936000     -0.2616000    
 C   -5.447900     -0.8432000     -0.8305000    
 H  -0.2334000       2.256700     -7.2999999E-02
 H    2.217600       2.713600     -0.3051000    
 H    3.113400      -2.160400      0.1084000    
 H    4.526400       1.880700     -0.4037000    
 H   -4.954700      0.5128000      0.7605000    
 H   -4.749900       1.187500     -0.8830000    
 H    6.066300     -1.3100000E-02 -0.3354000    
 H    5.494300      -1.655000     -0.1270000    
 H   -6.509900     -0.5838000     -0.8558000    
 H   -5.118600      -1.085900      -1.846300    
 H   -5.319200      -1.749700     -0.2299000    


%chk=000051668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051668

0 1
O 0.699772 -1.589656 -0.164392
O -3.398022 -0.165888 -0.251260
O -1.512461 -2.207618 -0.241791
O -2.624904 2.025135 -0.127831
N 5.421616 -0.607770 -0.009092
C 1.403334 0.752709 -0.072180
C 1.715942 -0.646055 -0.107898
C 0.029830 1.132212 -0.096974
C -1.016688 0.209689 -0.155124
C 2.492151 1.676245 -0.014414
C 3.038048 -1.113882 -0.087632
C 4.105191 -0.176131 -0.030169
C 3.813490 1.233120 0.006393
C -0.750090 -1.233951 -0.192582
C -2.394022 0.784222 -0.174660
C -4.795593 0.365876 -0.273021
C -5.714993 -0.846036 -0.377714
H -0.248896 2.192782 -0.070337
H 2.273439 2.749811 0.013369
H 3.223270 -2.192043 -0.116544
H 4.639358 1.951925 0.050535
H -4.959474 0.949071 0.651585
H -4.893287 1.053148 -1.133247
H 6.188858 0.057720 0.031877
H 5.647663 -1.598693 -0.034357
H -6.769690 -0.515241 -0.396609
H -5.508490 -1.416012 -1.299190
H -5.573153 -1.521189 0.482861


