%chk=000079784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079784

0 1
 O   -3.393600     -1.9200001E-02 -0.5406000    
 O  -0.9802000      -2.441400      0.2148000    
 O  -0.9930000       2.443800      0.2238000    
 O    3.701000     -2.6900001E-02  0.7156000    
 O    2.832300      8.8000000E-03  -1.383500    
 N   0.2990000      1.1800000E-02 -0.5289000    
 C   -1.039500      8.9999998E-04  8.3400004E-02
 C   -2.070300      1.9000000E-03  -1.063500    
 C   -1.175000      -1.253800      0.9733000    
 C   -1.178200       1.251200      0.9776000    
 C    1.324900      1.1400000E-02  0.4974000    
 C    2.672700      1.1400000E-02 -0.1694000    
 H   -1.969100      0.8995000      -1.684800    
 H   -1.950000     -0.8667000      -1.720400    
 H   -2.184200      -1.305400       1.401000    
 H  -0.5047000      -1.271200       1.837000    
 H  -0.5199000       1.269100       1.851200    
 H   -2.194300       1.298300       1.387300    
 H   0.4063000     -0.8151000      -1.117200    
 H    1.321400     -0.8869000       1.119200    
 H    1.322900      0.9124000       1.115300    
 H   -4.000700     -1.3500000E-02  -1.300200    
 H   -1.758400      -2.562200     -0.3545000    
 H  -0.1064000       2.403600     -0.1726000    
 H    4.571800     -4.5100000E-02  0.2643000    


%chk=000079784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079784

0 1
O -3.271769 -0.555196 -0.679300
O -1.485666 -2.479913 0.170146
O -0.812250 2.444769 0.325044
O 3.869296 0.215849 0.587104
O 2.873519 -0.383021 -1.428419
N 0.339242 0.122531 -0.387743
C -1.040699 -0.006668 0.163960
C -1.970259 0.022863 -1.078235
C -1.311296 -1.288837 1.004160
C -1.297594 1.260994 1.031990
C 1.471769 0.080776 0.550106
C 2.769024 -0.049272 -0.228872
H -2.084840 1.068412 -1.420142
H -1.531379 -0.588861 -1.892418
H -2.203752 -1.119524 1.640078
H -0.454786 -1.512821 1.662681
H -0.796821 1.163149 2.020122
H -2.381609 1.382948 1.201008
H 0.514192 -0.479083 -1.204239
H 1.449338 -0.777353 1.261709
H 1.517036 0.996675 1.167444
H -3.965667 -0.306348 -1.336807
H -2.365846 -2.360241 -0.281209
H -0.104226 2.083201 -0.293373
H 4.709844 0.081670 0.070803


