%chk=000051893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051893

0 1
 O    1.811900       3.055300      -2.167400    
 O  -7.8900002E-02   1.416500     -0.5379000    
 O   -1.314600       1.954600       1.309700    
 N    2.693400     -0.1652000     -0.5506000    
 N   -2.120300      0.5083000     -0.3454000    
 C    2.361400      -1.523400     -0.9844000    
 C    4.095100     -7.9499997E-02 -0.1587000    
 C    2.396300      0.7946000      -1.615400    
 C   0.8517000      -1.747600     -0.9181000    
 C    4.285500     -0.6269000       1.254800    
 C    2.129000       2.198200      -1.066800    
 C   0.4808000      -3.154700      -1.387800    
 C    5.753600     -0.5661000       1.677900    
 C   0.9772000       2.246800     -6.5099999E-02
 C   -1.016900      -3.397900      -1.291400    
 C    5.946300      -1.076400       3.097100    
 C   -1.199900       1.347400      0.2520000    
 C   -3.406400      0.1535000      0.1218000    
 C   -4.203500     -0.7159000     -0.6229000    
 C   -3.878200      0.6720000       1.327800    
 C   -5.472300      -1.066600     -0.1619000    
 C   -5.147100      0.3211000       1.788800    
 C   -5.944100     -0.5482000       1.043900    
 H    2.824500      -2.277100     -0.3382000    
 H    2.739200      -1.718400      -1.997100    
 H    4.744400     -0.6039000     -0.8726000    
 H    4.436200      0.9628000     -0.1446000    
 H    3.216100      0.8374000      -2.347600    
 H    1.533400      0.4996000      -2.224200    
 H   0.5017000      -1.600600      0.1116000    
 H   0.3098000      -1.036000      -1.547400    
 H    3.947200      -1.665400       1.334600    
 H    3.679400     -4.1299999E-02   1.958300    
 H    3.024200       2.625200     -0.6040000    
 H   0.8036000      -3.298700      -2.425500    
 H    1.003500      -3.901000     -0.7783000    
 H    6.363500      -1.166900      0.9931000    
 H    6.117400      0.4662000       1.616700    
 H   0.6108000       3.273900      4.6100002E-02
 H    1.314300       1.871400      0.9081000    
 H   -1.367900      -3.285200     -0.2606000    
 H   -1.258800      -4.412000      -1.624200    
 H   -1.569300      -2.693100      -1.921100    
 H    5.373900     -0.4758000       3.811300    
 H    7.002600      -1.023500       3.378600    
 H    5.622800      -2.118300       3.187000    
 H   0.9801000       2.738900      -2.559900    
 H   -1.842600      9.3300000E-02  -1.231400    
 H   -3.847700      -1.127200      -1.564100    
 H   -3.318500       1.349200       1.957900    
 H   -6.092900      -1.743600     -0.7417000    
 H   -5.515800      0.7240000       2.727800    
 H   -6.932100     -0.8213000       1.402900    


%chk=000051893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051893

0 1
O 1.526905 3.141382 -1.531684
O -0.431126 1.451879 -0.395307
O -1.653781 1.253015 1.608695
N 2.899405 -0.249835 -0.522888
N -2.607136 0.858464 -0.529940
C 2.514404 -1.641546 -0.877228
C 4.362579 -0.067392 -0.326142
C 2.297344 0.778933 -1.403986
C 1.086778 -2.010843 -0.419614
C 4.861896 -0.591113 1.037069
C 1.894822 2.050305 -0.612946
C 0.673092 -3.436711 -0.849299
C 6.391336 -0.443267 1.207931
C 0.784920 1.786539 0.405633
C -0.747661 -3.810451 -0.373580
C 6.890822 -0.959944 2.574436
C -1.596811 1.188590 0.357894
C -3.958721 0.526600 -0.229940
C -4.810889 0.220944 -1.324972
C -4.469263 0.491564 1.094502
C -6.160521 -0.116901 -1.100184
C -5.823666 0.151087 1.300812
C -6.677148 -0.154455 0.216047
H 3.228027 -2.328738 -0.385059
H 2.610711 -1.824156 -1.978177
H 4.947618 -0.552608 -1.148838
H 4.584882 1.015561 -0.388708
H 2.982433 1.096687 -2.223116
H 1.390663 0.365210 -1.882059
H 1.035125 -1.917835 0.683237
H 0.357270 -1.282205 -0.828178
H 4.585177 -1.658190 1.156544
H 4.334736 -0.041342 1.841363
H 2.774085 2.435063 -0.065697
H 0.729133 -3.518869 -1.954516
H 1.402838 -4.168942 -0.446409
H 6.906896 -0.992320 0.393236
H 6.673514 0.623291 1.090074
H 0.566206 2.678706 1.016388
H 1.046505 0.930983 1.050747
H -0.818430 -3.772885 0.729535
H -1.029567 -4.829448 -0.696618
H -1.500114 -3.106680 -0.777720
H 6.412225 -0.408702 3.405589
H 7.985297 -0.842289 2.676514
H 6.652443 -2.032563 2.703560
H 0.608720 2.954066 -1.857871
H -2.335961 0.859975 -1.515388
H -4.417436 0.248364 -2.349452
H -3.812099 0.726719 1.934147
H -6.806989 -0.350284 -1.953329
H -6.212844 0.125844 2.324851
H -7.725647 -0.416757 0.391541


