%chk=000000844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000844

0 1
 O    1.637000      -1.684600      0.5047000    
 O    2.341400     -0.1942000      -1.052100    
 O   -3.243000     -0.4118000      0.3754000    
 N    1.113900       1.873900      0.1168000    
 C  -0.6095000      0.2420000      0.7159000    
 C   0.8866000      0.5715000      0.7477000    
 C   -1.178500      0.2068000     -0.7011000    
 C    1.690700     -0.4432000     -4.4900000E-02
 C   -2.638600     -0.1604000     -0.6624000    
 H   -1.157600      0.9800000       1.317100    
 H  -0.7737000     -0.7295000       1.200600    
 H    1.262200      0.5959000       1.776000    
 H  -0.6735000     -0.5395000      -1.322000    
 H   -1.102600       1.181900      -1.192200    
 H    2.095900       2.131600      0.2104000    
 H   0.5851000       2.590000      0.6135000    
 H   -3.147000     -0.1967000      -1.640700    
 H    2.167000      -2.333400     -5.5999998E-03


%chk=000000844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000844

0 1
O 1.638664 -1.683930 0.398154
O 2.641972 -0.006288 -0.851311
O -3.475052 0.147828 0.303705
N 0.980550 1.921908 0.185902
C -0.608447 0.081747 0.772695
C 0.865652 0.584245 0.773032
C -1.204962 0.049877 -0.642006
C 1.798861 -0.352278 0.006770
C -2.716836 0.004858 -0.687633
H -1.207868 0.767469 1.399848
H -0.657105 -0.914336 1.245865
H 1.219849 0.531349 1.832100
H -0.815263 -0.798237 -1.243188
H -0.879674 0.971365 -1.179388
H 1.840773 2.088246 -0.343203
H 0.689118 2.690893 0.790161
H -3.147141 -0.152880 -1.711725
H 2.292710 -2.251533 -0.092680


