%chk=000000589.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000589

0 1
 O   -3.658500      0.7941000     -0.2782000    
 O   -2.715300      -1.277600     -0.1081000    
 N    2.142800      1.4700000E-02 -8.4399998E-02
 C    1.061800      0.3837000      0.9212000    
 C    1.767700      0.5590000      -1.455400    
 C    3.470200      0.6161000      0.3544000    
 C    2.271800      -1.500000     -0.1581000    
 C  -0.2793000     -0.1716000      0.5608000    
 C   -1.350200      0.5937000      0.3101000    
 C   -2.711000     -1.2100000E-02 -6.2300000E-02
 H    1.045000       1.478500      0.9894000    
 H    1.373700     -8.6000003E-03   1.896700    
 H    1.606700       1.637900      -1.370000    
 H    2.597100      0.3557000      -2.140300    
 H   0.8661000      5.7700001E-02  -1.817700    
 H    3.724600      0.2117000       1.338600    
 H    4.235400      0.3445000     -0.3788000    
 H    3.359000       1.703400      0.4033000    
 H    2.416700      -1.889700      0.8540000    
 H    1.379800      -1.928000     -0.6225000    
 H    3.143300      -1.735800     -0.7774000    
 H  -0.3736000      -1.253300      0.5558000    
 H   -1.247700       1.677300      0.3473000    


%chk=000000589-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000589

0 1
O -1.778374 -0.156878 -1.610459
O -3.368041 -0.678037 0.061378
N 2.048447 0.048111 -0.070150
C 1.129381 0.382929 1.264999
C 1.435862 0.712937 -1.299530
C 3.451604 0.563201 0.170708
C 2.062082 -1.453416 -0.284239
C -0.229923 -0.171204 1.119218
C -1.204253 0.509606 0.419610
C -2.291778 -0.182312 -0.388687
H 1.157075 1.486960 1.300823
H 1.734266 -0.047522 2.083764
H 1.413212 1.802806 -1.137343
H 2.071554 0.478551 -2.170797
H 0.402452 0.343872 -1.460138
H 3.883534 0.052224 1.046031
H 4.077314 0.372732 -0.716653
H 3.405981 1.646843 0.363252
H 2.455237 -1.947995 0.618383
H 1.030960 -1.784491 -0.475845
H 2.698275 -1.688807 -1.153213
H -0.398736 -1.218187 1.399130
H -1.060029 1.579379 0.198155


