%chk=000029811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029811

0 1
 O    1.665800      7.7500001E-02  -1.047500    
 O    2.187100      0.4210000       1.192800    
 O    5.770200     -0.8521000      0.4535000    
 N   -3.730000      0.2707000      0.2922000    
 N    3.862700      0.1885000     -0.3928000    
 C   -2.360200      0.2074000     -4.5299999E-02
 C   -1.677600      -1.009000     -3.3500001E-02
 C   -1.690000       1.380000     -0.3939000    
 C  -0.3246000      -1.052900     -0.3702000    
 C   0.3456000      0.1198000     -0.7189000    
 C  -0.3372000       1.336100     -0.7307000    
 C   -2.370800      -2.280100      0.3356000    
 C   -4.172100       1.079300       1.409700    
 C   -4.709800     -0.4612000     -0.4840000    
 C    2.551400      0.2456000      3.3799998E-02
 C    4.989400      0.3294000      0.4993000    
 H   -2.207800       2.335400     -0.4146000    
 H   0.2153000      -1.996800     -0.3665000    
 H   0.1786000       2.252900      -1.003200    
 H   -1.647500      -3.060400      0.5999000    
 H   -3.008700      -2.149500       1.215800    
 H   -2.963500      -2.655500     -0.5038000    
 H   -3.514400      0.9451000       2.275500    
 H   -5.184500      0.8011000       1.722200    
 H   -4.184700       2.140000       1.139300    
 H   -4.320900     -0.7647000      -1.462400    
 H   -5.588200      0.1667000     -0.6713000    
 H   -5.047500      -1.351500      5.5700000E-02
 H    4.044800      4.2300001E-02  -1.380800    
 H    4.668300      0.5131000       1.528100    
 H    5.597600       1.167600      0.1501000    
 H    5.162300      -1.595200      0.6062000    


%chk=000029811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029811

0 1
O 1.753728 -0.543167 -0.362080
O 2.697885 1.508192 0.408892
O 5.731327 0.358889 1.168467
N -3.844260 0.041886 0.505703
N 3.990831 -0.242338 -0.450274
C -2.434401 -0.068091 0.280812
C -1.865133 -1.308761 -0.169465
C -1.560076 1.019237 0.559029
C -0.469069 -1.381430 -0.363397
C 0.370024 -0.278561 -0.099730
C -0.162578 0.934436 0.381933
C -2.707299 -2.556132 -0.366369
C -4.309712 1.075102 1.444918
C -4.744658 -0.109216 -0.657254
C 2.797519 0.355389 -0.085027
C 5.252930 0.452791 -0.209861
H -1.975524 1.968626 0.910883
H -0.011382 -2.319308 -0.695890
H 0.485476 1.783398 0.601566
H -2.106378 -3.463333 -0.181165
H -3.567216 -2.552696 0.326813
H -3.109693 -2.640201 -1.395410
H -3.687025 1.067967 2.354943
H -5.351116 0.846743 1.737171
H -4.299940 2.106938 1.018563
H -4.396217 -0.911869 -1.322865
H -4.807262 0.827633 -1.259224
H -5.763501 -0.365095 -0.311530
H 3.977105 -1.232665 -0.696745
H 5.119382 1.508797 -0.507874
H 6.036265 -0.025432 -0.815244
H 5.159068 0.932871 1.740012


