%chk=000021327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021327

0 1
 O    5.028900      0.7093000     -6.6399999E-02
 O    1.783500     -0.4498000      0.3093000    
 O   -4.224700       1.313200     -3.5599999E-02
 O   -4.449500     -0.8655000     -0.2381000    
 N   -3.739400      0.1581000     -9.2900001E-02
 C    3.911900      6.3800000E-02 -0.6603000    
 C    4.790300     -0.6571000      0.2952000    
 C    2.591600      0.6222000     -0.1737000    
 C   0.4341000     -0.3013000      0.2111000    
 C  -0.1336000      0.9714000      0.2716000    
 C  -0.3809000      -1.421700      4.9899999E-02
 C   -2.331700      3.1999999E-03  9.7000003E-03
 C   -1.516500       1.123600      0.1709000    
 C   -1.763800      -1.269400     -5.0799999E-02
 H    3.938500     -0.1985000      -1.707300    
 H    4.435400     -0.8525000       1.298800    
 H    5.470900      -1.402000     -9.6400000E-02
 H    2.129500       1.134500      -1.026900    
 H    2.749500       1.342000      0.6384000    
 H   0.4623000       1.866400      0.4234000    
 H   5.6299999E-02  -2.415300      2.0000001E-03
 H   -1.924300       2.129700      0.2281000    
 H   -2.367100      -2.165100     -0.1757000    


%chk=000021327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021327

0 1
O 5.171543 0.839577 -0.127911
O 1.715395 -0.605650 -0.384274
O -4.304615 1.372783 0.492228
O -4.612582 -0.861914 0.138414
N -3.857414 0.183006 0.248643
C 4.044374 -0.068634 -0.553082
C 4.926854 -0.473964 0.584607
C 2.673263 0.518281 -0.302724
C 0.360048 -0.326988 -0.218041
C -0.166081 0.965569 0.050939
C -0.505201 -1.448815 -0.333348
C -2.402559 0.006506 0.087037
C -1.555077 1.129088 0.203774
C -1.888162 -1.286061 -0.180800
H 4.188258 -0.543979 -1.531010
H 4.556509 -0.375787 1.612534
H 5.697622 -1.235392 0.420717
H 2.426004 1.275857 -1.072579
H 2.632820 0.989613 0.698590
H 0.487999 1.836373 0.144471
H -0.066582 -2.428735 -0.541327
H -1.993888 2.108557 0.411598
H -2.577331 -2.130090 -0.264155


