%chk=000131209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131209

1 1
 O    1.477600       1.038200      0.5769000    
 O   0.4720000      0.6595000      -1.464400    
 O   -4.145400       2.490300     -0.5892000    
 N    5.016600      -1.088900      0.4794000    
 C    4.256700      -1.077900     -0.8634000    
 C    5.196200      0.4280000      0.6963000    
 C    5.054300     -6.1700001E-02  -1.697500    
 C    5.664100      0.9162000     -0.6849000    
 C    2.818900     -0.5765000     -0.6384000    
 C    3.840900       1.061500       1.058000    
 C    2.758600      0.8214000     -5.7000001E-03
 C    4.301200      -1.818800       1.614700    
 C    6.378200      -1.799600      0.3450000    
 C   0.4119000      0.9259000     -0.2707000    
 C  -0.8786000       1.221600      0.4542000    
 C   -2.089400      0.4393000     -6.3400000E-02
 C   -3.376200      0.6377000      0.7718000    
 C   -3.792100       2.119700      0.7392000    
 C   -4.525600     -0.2537000      0.3254000    
 C   -5.454500     -0.6634000       1.260600    
 C   -4.605800     -0.6258000      -1.001300    
 C   -6.508400      -1.480400      0.8515000    
 C   -5.659900      -1.442700      -1.410200    
 C   -6.611200      -1.869900     -0.4837000    
 H    4.270800      -2.088300      -1.285600    
 H    5.939200      0.5873000       1.484600    
 H    5.851300     -0.5641000      -2.258000    
 H    4.432900      0.4533000      -2.438000    
 H    5.366500       1.950800     -0.8867000    
 H    6.757900      0.8900000     -0.7528000    
 H    2.343200     -0.5738000      -1.624900    
 H    2.241600      -1.300000     -5.0999999E-02
 H    3.499500      0.7167000       2.041000    
 H    3.968300       2.145000       1.184100    
 H    2.896000       1.575500     -0.7926000    
 H    4.198800      -2.870300       1.329700    
 H    4.911200      -1.720700       2.517700    
 H    3.313700      -1.396000       1.797100    
 H    6.188600      -2.851400      0.1105000    
 H    6.973200      -1.347000     -0.4494000    
 H    6.904300      -1.704900       1.299800    
 H   -1.035400       2.301200      0.3688000    
 H  -0.7386000      0.9822000       1.515200    
 H   -1.830400     -0.6280000     -8.4500000E-02
 H   -2.238000      0.7391000      -1.107600    
 H   -3.128600      0.3755000       1.809700    
 H   -4.662400       2.297700       1.381600    
 H   -3.000600       2.786300       1.089500    
 H   -5.382800     -0.3629000       2.301600    
 H   -3.903200     -0.3034000      -1.759800    
 H   -5.026000       2.123900     -0.7765000    
 H   -7.249600      -1.812400       1.572600    
 H   -5.743300      -1.742700      -2.450800    
 H   -7.432700      -2.504900     -0.8025000    


%chk=000131209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131209

1 1
O 1.438909 0.355680 0.721557
O 0.334137 -0.211505 -1.251211
O -3.744687 2.720430 -0.011533
N 5.490740 -0.754443 0.575301
C 4.610015 -1.382181 -0.564635
C 5.188155 0.766403 0.332727
C 4.998211 -0.511360 -1.792671
C 5.376728 0.894012 -1.205548
C 3.119604 -1.237742 -0.197060
C 3.742176 1.080334 0.773410
C 2.713496 0.251172 -0.026766
C 5.165751 -1.249306 1.975892
C 6.969902 -1.053773 0.338467
C 0.260432 0.126853 -0.052314
C -0.977725 0.367949 0.780132
C -2.278820 0.095373 -0.000002
C -3.553632 0.358255 0.842906
C -3.719077 1.873385 1.184477
C -4.827199 -0.152212 0.163476
C -5.863194 -0.722668 0.948732
C -5.042627 -0.005709 -1.233772
C -7.078683 -1.137398 0.361393
C -6.259361 -0.419579 -1.824343
C -7.282464 -0.984138 -1.029949
H 4.898642 -2.442555 -0.663327
H 5.918927 1.349973 0.918058
H 5.835832 -0.953583 -2.355832
H 4.145900 -0.451801 -2.487683
H 4.724051 1.690854 -1.595645
H 6.409401 1.177581 -1.465799
H 2.523488 -1.680125 -1.014221
H 2.866946 -1.808896 0.713701
H 3.598665 0.923583 1.856542
H 3.565501 2.156601 0.599854
H 2.551016 0.689266 -1.029076
H 5.381948 -2.328126 2.026940
H 5.803864 -0.711091 2.694390
H 4.114096 -1.078460 2.225569
H 7.127508 -2.139988 0.425234
H 7.278990 -0.718209 -0.658465
H 7.563878 -0.530121 1.103644
H -0.935503 1.416856 1.132305
H -0.911509 -0.257128 1.693133
H -2.284146 -0.950585 -0.357768
H -2.290178 0.743169 -0.894733
H -3.451652 -0.168462 1.816212
H -4.635534 2.012110 1.793362
H -2.859539 2.245821 1.768086
H -5.713870 -0.847076 2.029020
H -4.252686 0.405472 -1.872368
H -4.574890 2.528540 -0.519324
H -7.863352 -1.580322 0.984607
H -6.407056 -0.302348 -2.903774
H -8.224026 -1.305083 -1.488310


