%chk=000074229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074229

0 1
 O   0.2494000       1.623000      0.9544000    
 O   -2.048500       2.198300     -0.2123000    
 N    3.721900     -0.4003000     -0.4763000    
 C    2.572100      0.4588000     -0.1956000    
 C    1.334600     -0.3716000      0.1443000    
 C   0.1306000      0.5021000      0.4647000    
 C   -1.235600     -2.4599999E-02  0.1734000    
 C    4.009200      -1.260500      0.6710000    
 C    4.892800      0.4073000     -0.8154000    
 C   -2.247300      0.8514000     -0.1485000    
 C   -1.426400      -1.387200      0.2410000    
 C   -3.516600      0.3392000     -0.4169000    
 C   -2.695500      -1.899400     -2.7600000E-02
 C   -3.740800      -1.036200     -0.3563000    
 H    2.346000       1.074900      -1.075600    
 H    2.794600       1.153200      0.6259000    
 H    1.103300      -1.022600     -0.7067000    
 H    1.484400     -0.9868000       1.037300    
 H    3.266200      -2.056400      0.7807000    
 H    4.083200     -0.6995000       1.609800    
 H    4.961200      -1.785600      0.5243000    
 H    5.739600     -0.2344000      -1.083600    
 H    5.201100       1.058000      1.1100000E-02
 H    4.688100       1.034500      -1.690400    
 H  -0.6376000      -2.080900      0.5130000    
 H   -4.340400      0.9997000     -0.6741000    
 H   -2.871600      -2.970000      2.3800001E-02
 H   -4.729400      -1.435200     -0.5641000    
 H   -2.884900       2.631800     -0.4540000    


%chk=000074229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074229

0 1
O 0.311528 1.872502 -0.699212
O -2.289267 2.256912 0.035787
N 3.833922 -0.427168 -0.261722
C 2.668178 0.484111 -0.155565
C 1.332033 -0.278353 -0.185005
C 0.128459 0.659899 -0.392822
C -1.245706 0.068901 -0.235553
C 4.012742 -1.287274 0.926282
C 5.073192 0.311225 -0.585153
C -2.419417 0.870937 -0.058156
C -1.424142 -1.343604 -0.284657
C -3.697510 0.263328 0.050505
C -2.690693 -1.949543 -0.184817
C -3.835532 -1.135762 -0.016801
H 2.688259 1.177127 -1.014537
H 2.714177 1.122204 0.763945
H 1.379856 -1.007642 -1.020287
H 1.176971 -0.867209 0.739056
H 3.128955 -1.931866 1.073351
H 4.177304 -0.704306 1.869690
H 4.886177 -1.946568 0.775363
H 5.901271 -0.403177 -0.743227
H 5.385759 1.029456 0.215614
H 4.930968 0.883132 -1.519023
H -0.545733 -1.980824 -0.421774
H -4.584854 0.895969 0.188219
H -2.787542 -3.038247 -0.238974
H -4.830237 -1.587219 0.063908
H -3.175419 2.674059 0.192867


