%chk=000026298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026298

0 1
 O    1.021900     -0.1430000      -1.829800    
 O   -1.454400      0.2836000     -0.9398000    
 O  -0.8934000      -1.542000      0.3411000    
 N   -4.643200     -0.5204000      0.7674000    
 C   0.8551000     -1.9999999E-04 -0.4044000    
 C    1.899900     -0.8373000      0.3373000    
 C   0.9652000       1.476700     -1.9099999E-02
 C   -2.829000     -9.3500003E-02 -0.8663000    
 C  -0.5733000     -0.5374000     -0.2831000    
 C   -3.252900     -0.1182000      0.6042000    
 C   -3.625000      0.9012000      -1.701600    
 C    3.132200      -1.020600     -0.2465000    
 C   0.2294000       1.935300       1.049400    
 C    1.566400      -1.374500       1.559200    
 C    1.795500       2.289400     -0.7560000    
 C   0.8708000      -1.493600      -2.219000    
 C    4.084100      -1.783800      0.4296000    
 C   0.3297000       3.281700       1.400300    
 C    2.518400      -2.137500       2.235300    
 C    1.895800       3.635600     -0.4049000    
 C   -5.003000     -0.5736000       2.186100    
 C   -4.883400      -1.819400      0.1353000    
 C    3.777100      -2.342300       1.670400    
 C    1.163000       4.131700      0.6731000    
 C    1.053100      -1.598100      -3.718100    
 H   -2.902700      -1.079700      -1.338100    
 H   -2.636100     -0.7486000       1.245200    
 H   -3.121500      0.8957000       1.008200    
 H   -3.232600      0.9360000      -2.724100    
 H   -3.527600       1.915100      -1.297700    
 H   -4.686900      0.6445000      -1.751200    
 H    3.404900     -0.5761000      -1.198500    
 H  -0.4137000       1.288500       1.637300    
 H   0.6237000      -1.186000       2.060200    
 H    2.381500       1.922500      -1.592400    
 H    1.583000      -2.182200      -1.759800    
 H  -0.1353000      -1.884900      -2.039200    
 H    5.066600      -1.937800     -6.8999999E-03
 H  -0.2384000       3.667500       2.241800    
 H    2.285300      -2.560000       3.208300    
 H    2.546400       4.297200     -0.9694000    
 H   -6.067300     -0.8057000       2.304100    
 H   -4.423300      -1.325200       2.734300    
 H   -4.841700      0.4009000       2.660500    
 H   -4.876900      -1.754200     -0.9568000    
 H   -4.162700      -2.580100      0.4571000    
 H   -5.886200      -2.185300      0.3881000    
 H    4.520100      -2.932300       2.199000    
 H    1.242200       5.179600      0.9472000    
 H   0.9263000      -2.629500      -4.059700    
 H   0.3304000     -0.9627000      -4.241000    
 H    2.050700      -1.252100      -4.008800    


%chk=000026298-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026298

0 1
O 1.071940 0.038734 -1.694063
O -1.413108 -0.595713 -0.970516
O -0.833645 -1.319393 1.165352
N -4.837983 -0.040805 0.520610
C 0.897455 -0.224820 -0.257425
C 2.041112 -1.125483 0.252417
C 0.898741 1.165968 0.424533
C -2.858483 -0.931993 -0.690855
C -0.518730 -0.798645 0.067647
C -3.504973 0.305191 -0.022184
C -3.486031 -1.297687 -2.032195
C 3.350103 -0.575850 0.239492
C 1.021567 1.256582 1.833304
C 1.874864 -2.482228 0.620462
C 0.733275 2.343421 -0.341682
C 1.132628 -1.153352 -2.566215
C 4.466489 -1.360647 0.592377
C 0.993649 2.516692 2.468056
C 2.994266 -3.270203 0.976326
C 0.710715 3.604534 0.297109
C -5.802670 1.076355 0.480479
C -4.768563 -0.665864 1.859571
C 4.292796 -2.715160 0.964725
C 0.840619 3.696560 1.701750
C 1.207391 -0.632274 -4.000556
H -2.868800 -1.784571 0.012079
H -2.817068 0.699074 0.763025
H -3.619398 1.095660 -0.786455
H -3.067417 -2.236780 -2.433594
H -3.319445 -0.494502 -2.772045
H -4.572460 -1.425497 -1.882182
H 3.484912 0.470511 -0.056016
H 1.133454 0.342234 2.426124
H 0.875806 -2.925748 0.656135
H 0.636463 2.256191 -1.426473
H 2.024959 -1.759023 -2.310336
H 0.224233 -1.770156 -2.416024
H 5.469139 -0.918716 0.578558
H 1.091703 2.577834 3.557740
H 2.848238 -4.317042 1.265752
H 0.591362 4.513812 -0.303116
H -6.798724 0.713514 0.793493
H -5.525606 1.930541 1.148439
H -5.889621 1.460751 -0.551081
H -4.046329 -1.499709 1.857805
H -4.450757 0.052455 2.655899
H -5.760008 -1.069725 2.132921
H 5.158075 -3.327314 1.243146
H 0.822012 4.675140 2.195073
H 1.269038 -1.477391 -4.710605
H 0.311723 -0.034435 -4.241957
H 2.099294 0.003874 -4.137024


