%chk=000059477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059477

1 1
 O    2.233800      -1.696800      0.4298000    
 O    3.233500      0.6741000     -0.6202000    
 N   -3.086300     -0.1018000     -0.1096000    
 N   -4.393400     -0.2118000      0.4406000    
 C   -2.162600      0.3457000      0.9980000    
 C  -0.7275000      0.4298000      0.5686000    
 C   -2.721400      -1.470200     -0.6328000    
 C   -3.170400      0.9153000      -1.222100    
 C   9.6299998E-02 -0.6825000      0.6994000    
 C  -0.2343000       1.619500      4.4500001E-02
 C    1.430800     -0.6042000      0.3007000    
 C    1.100000       1.697800     -0.3542000    
 C    1.932500      0.5860000     -0.2262000    
 C    2.288400      -2.595600     -0.6763000    
 C    4.180500       1.094700      0.3600000    
 H   -2.262600     -0.3612000       1.833900    
 H   -2.511400       1.321800       1.363200    
 H   -3.516700      -1.812600      -1.305300    
 H   -1.790300      -1.402700      -1.202100    
 H   -2.617700      -2.164800      0.2074000    
 H   -3.383500       1.901700     -0.7967000    
 H   -2.224200      0.9265000      -1.770000    
 H   -3.971300      0.6203000      -1.909800    
 H   -4.394200     -0.8794000       1.211700    
 H   -4.681800      0.6822000      0.8381000    
 H  -0.2850000      -1.610900       1.116700    
 H  -0.8697000       2.495100     -5.5000000E-02
 H    1.484300       2.628300     -0.7633000    
 H    2.668600      -2.086900      -1.567700    
 H    1.298100      -3.016600     -0.8773000    
 H    2.970300      -3.411500     -0.4215000    
 H    4.198500      0.3968000       1.203000    
 H    3.945100       2.104000      0.7122000    
 H    5.170600       1.108100     -0.1039000    


%chk=000059477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059477

1 1
O 2.203992 -1.696823 0.474874
O 3.259802 0.827605 -0.662392
N -3.294519 -0.090223 -0.051857
N -4.656503 -0.114071 0.517847
C -2.220715 0.427288 1.016631
C -0.801393 0.493398 0.526611
C -2.977176 -1.511896 -0.495726
C -3.338040 0.827183 -1.266466
C 0.068007 -0.618182 0.683412
C -0.292981 1.686197 -0.058731
C 1.414330 -0.558483 0.266864
C 1.055461 1.764824 -0.453428
C 1.929829 0.667297 -0.268939
C 2.876865 -2.266612 -0.724448
C 4.299577 0.614004 0.384766
H -2.344629 -0.272647 1.861639
H -2.609711 1.419010 1.308074
H -3.766368 -1.834228 -1.189309
H -1.991114 -1.516030 -0.979678
H -2.958309 -2.168189 0.389074
H -3.581665 1.849235 -0.935100
H -2.350174 0.820041 -1.746901
H -4.118043 0.454150 -1.944927
H -4.694147 -0.770405 1.312400
H -4.944241 0.840022 0.782925
H -0.270295 -1.555859 1.140424
H -0.934413 2.569458 -0.164729
H 1.474591 2.685041 -0.871033
H 3.464091 -1.501528 -1.260267
H 2.119583 -2.702591 -1.401292
H 3.532630 -3.057837 -0.334754
H 4.180478 -0.365531 0.878654
H 4.234948 1.425618 1.130822
H 5.257249 0.668965 -0.151239


