%chk=000168887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168887

1 1
 O    3.068800      -1.514000     -0.1647000    
 O   -1.753300      -1.597300      0.7334000    
 O   -2.642100     -0.3450000     -0.9472000    
 N   0.1866000      0.8386000      0.1259000    
 C   0.9704000     -0.4521000      0.3156000    
 C   -1.204700      0.6797000      0.7216000    
 C   0.9108000       1.979600      0.8259000    
 C   7.0100002E-02   1.147300      -1.359800    
 C    2.344300     -0.2993000     -0.3068000    
 C   -1.951000     -0.4375000      5.6200001E-02
 H    1.028700     -0.6744000       1.387600    
 H   0.4521000      -1.275200     -0.1854000    
 H   -1.755100       1.617700      0.5854000    
 H   -1.102900      0.4974000       1.797800    
 H    1.824100       2.238300      0.2851000    
 H   0.2466000       2.850100      0.8265000    
 H    1.130100       1.677500       1.854200    
 H  -0.7016000       1.912800      -1.491300    
 H    1.017500       1.549100      -1.730000    
 H  -0.1984000      0.2379000      -1.904900    
 H    2.308900     -0.1015000      -1.379900    
 H    2.949900      0.4750000      0.1693000    
 H    3.136200      -1.705900      0.7863000    
 H   -2.228900      -2.348400      0.3189000    


%chk=000168887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168887

1 1
O 3.213932 -1.473088 0.142826
O -3.099657 -0.831793 0.777420
O -1.563820 -1.320370 -0.906925
N 0.216728 0.796160 0.153248
C 1.157252 -0.427785 0.292405
C -1.139639 0.460750 0.788388
C 0.781691 1.988825 0.934313
C 0.041425 1.201647 -1.316947
C 2.537033 -0.288478 -0.378131
C -1.917254 -0.665741 0.094033
H 1.310063 -0.593238 1.373139
H 0.633754 -1.292434 -0.140699
H -1.761085 1.372829 0.782864
H -0.967232 0.177240 1.840908
H 1.752002 2.274573 0.506110
H 0.081715 2.834893 0.854822
H 0.910719 1.701519 1.989012
H -0.728704 1.986946 -1.375265
H 0.997199 1.597738 -1.688833
H -0.266668 0.320218 -1.894867
H 2.452528 -0.313440 -1.483061
H 3.066568 0.638676 -0.074304
H 4.062646 -1.640720 -0.337587
H -3.664094 -1.554527 0.386830


