%chk=000091597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091597

0 1
 O   0.1861000     -0.9214000      -2.413100    
 O    1.612400      -3.773200      0.8651000    
 O   -3.678100       1.988600      -1.279500    
 N   0.8165000      -1.578900      0.9379000    
 N   0.9843000      -2.588700      -1.030600    
 C   0.3481000     -0.5413000      1.8700000E-02
 C   -1.126900     -0.1722000      0.2175000    
 C    1.290700      0.6602000      0.1385000    
 C   0.4860000      -1.337800      -1.300400    
 C    1.188500      -2.766700      0.3142000    
 C   -1.741900      0.7518000     -0.6319000    
 C   -1.864300     -0.7571000       1.250900    
 C    1.341200       1.391500       1.325300    
 C    2.098300       1.023400     -0.9393000    
 C   -3.083300       1.088200     -0.4499000    
 C   -3.205700     -0.4204000       1.433300    
 C    2.199400       2.485800       1.434200    
 C    2.956600       2.117400     -0.8303000    
 C   -3.815200      0.5020000      0.5829000    
 C    3.007200       2.848700      0.3565000    
 H   0.8828000      -1.448500       1.943200    
 H    1.164400      -3.295400      -1.734400    
 H   -1.183400       1.221200      -1.438000    
 H   -1.430900      -1.478500       1.936400    
 H   0.7211000       1.122200       2.176100    
 H    2.107000      0.4843000      -1.879200    
 H   -3.775900     -0.8764000       2.237400    
 H    2.239300       3.054900       2.358400    
 H    3.587700       2.399100      -1.668200    
 H   -4.860800      0.7556000      0.7356000    
 H    3.676000       3.700200      0.4416000    
 H   -4.605300       2.101700      -1.008700    


%chk=000091597-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091597

0 1
O 0.126381 -0.902007 -2.465811
O 1.685105 -3.813322 0.894567
O -3.579389 2.275394 -0.945901
N 0.868438 -1.575722 0.968742
N 0.887026 -2.610156 -1.014666
C 0.356025 -0.545680 0.031449
C -1.127969 -0.199822 0.291159
C 1.276202 0.692750 0.050356
C 0.428628 -1.331696 -1.330918
C 1.204656 -2.781163 0.371705
C -1.706681 0.884244 -0.405747
C -1.922513 -0.989936 1.158557
C 1.147451 1.620202 1.116644
C 2.301265 0.884002 -0.907228
C -3.074047 1.181526 -0.223903
C -3.289056 -0.679557 1.333699
C 2.036814 2.709541 1.231574
C 3.187604 1.978776 -0.795382
C -3.876008 0.405580 0.648933
C 3.063009 2.891735 0.275452
H 1.115736 -1.373760 1.936071
H 1.008811 -3.362397 -1.693137
H -1.118228 1.496368 -1.094800
H -1.477967 -1.838715 1.686237
H 0.338488 1.500019 1.847212
H 2.403018 0.197951 -1.754327
H -3.903093 -1.287336 2.007014
H 1.925405 3.418002 2.059786
H 3.971766 2.120154 -1.547207
H -4.938741 0.641947 0.789747
H 3.751285 3.739839 0.360369
H -4.547525 2.393539 -0.780042


