%chk=000038870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038870

0 1
 O  -0.6945000      -2.926600       1.318800    
 O    1.463400      -1.240000      0.6880000    
 N   -1.592100      0.3385000     -0.1806000    
 C   -2.241200       1.542000      0.3944000    
 C   -2.832900      8.8100001E-02 -0.9541000    
 C   -3.151800       1.585500     -0.8409000    
 C   -1.401600     -0.6850000      0.8393000    
 C   -2.955000       1.304300       1.707400    
 C   -1.259600       2.686200      0.5515000    
 C   -2.530600     -0.4365000      -2.343600    
 C   -3.824600     -0.8291000     -0.2720000    
 C  -0.7868000      -1.963500      0.2652000    
 C   0.6049000      -1.751300     -0.3268000    
 C    2.491300     -0.4348000      0.2761000    
 C    3.054200     -0.6246000     -0.9814000    
 C    2.963500      0.5653000       1.119300    
 C    4.102000      0.1954000      -1.400600    
 C    4.011100       1.385300      0.7000000    
 C    4.580300       1.200300     -0.5601000    
 H   -4.198600       1.855300     -0.6716000    
 H   -2.768900       2.196800      -1.668200    
 H  -0.6829000     -0.2902000       1.572800    
 H   -2.246600     -0.9859000       1.465000    
 H   -3.246300       2.288200       2.109200    
 H   -3.919000      0.8080000       1.682200    
 H   -2.328000      0.8909000       2.504200    
 H   -1.777900       3.623200      0.7840000    
 H  -0.5403000       2.491500       1.355400    
 H  -0.6854000       2.855800     -0.3671000    
 H   -1.770800      0.1725000      -2.847900    
 H   -2.168600      -1.468800      -2.338100    
 H   -3.429200     -0.4097000      -2.970700    
 H   -3.549000      -1.884500     -0.3881000    
 H   -4.089000     -0.7097000      0.7697000    
 H   -4.787100     -0.7427000     -0.7971000    
 H   -1.426500      -2.417400     -0.4935000    
 H   0.5212000      -1.074300      -1.185800    
 H    1.009600      -2.714400     -0.6593000    
 H  -8.2900003E-02  -2.574900       1.988300    
 H    2.732200      -1.413600      -1.654000    
 H    2.522200      0.7132000       2.100900    
 H    4.550100      4.7300000E-02  -2.378800    
 H    4.383700       2.167900       1.354600    
 H    5.397000       1.837800     -0.8859000    


%chk=000038870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038870

0 1
O -0.210916 -2.904255 1.194508
O 1.505351 -0.800554 0.659786
N -2.044480 0.129749 -0.124851
C -2.463591 1.551825 0.223620
C -3.326962 -0.144817 -0.900440
C -3.650417 1.391638 -0.795903
C -1.482835 -0.792673 0.869599
C -2.938749 1.773061 1.679763
C -1.384296 2.583367 -0.150288
C -3.065878 -0.659060 -2.329858
C -4.357435 -1.047911 -0.185087
C -0.588400 -1.876932 0.212116
C 0.657934 -1.282889 -0.453860
C 2.751401 -0.230579 0.350202
C 3.235210 -0.050683 -0.969233
C 3.532667 0.172711 1.461790
C 4.508676 0.533952 -1.163291
C 4.798642 0.753749 1.250663
C 5.296420 0.937791 -0.063191
H -4.648662 1.632227 -0.393540
H -3.494315 1.938616 -1.741356
H -0.855522 -0.206471 1.568391
H -2.244414 -1.326811 1.480952
H -3.389905 2.778380 1.776806
H -3.696722 1.029452 1.984116
H -2.094774 1.716444 2.392583
H -1.754472 3.617382 -0.012657
H -0.486163 2.455245 0.483840
H -1.077429 2.454184 -1.202815
H -2.295666 -0.039991 -2.822164
H -2.712465 -1.708156 -2.321369
H -3.991683 -0.620837 -2.935308
H -3.987312 -2.086779 -0.093308
H -4.597703 -0.680797 0.828499
H -5.296878 -1.077019 -0.767684
H -1.170492 -2.419326 -0.554634
H 0.364540 -0.441285 -1.109715
H 1.208786 -2.056960 -1.022552
H 0.531091 -2.524506 1.734967
H 2.639812 -0.353836 -1.835095
H 3.134405 0.022653 2.470370
H 4.882063 0.671706 -2.184424
H 5.399124 1.062514 2.113682
H 6.281412 1.388282 -0.223529


