%chk=000063563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063563

0 1
 O   -5.200100       2.603800      -1.711600    
 O   -3.177000      -3.370000     -0.9907000    
 O    1.265300      -1.857600      0.7622000    
 N   -3.770400     -2.4100000E-02  0.4458000    
 N   -1.391500      0.2479000      0.8352000    
 N   0.9415000      0.4200000       1.140100    
 N    2.539600       2.015400      0.3958000    
 C   -2.697900      7.7999998E-03   1.455700    
 C   -3.910100       1.291800     -0.1830000    
 C   -3.513900      -1.037400     -0.5823000    
 C  -0.3255000      0.2090000       1.823100    
 C   -5.092200       1.307000      -1.139000    
 C   -3.408100      -2.420000      4.1299999E-02
 C    1.636500     -0.6923000      0.6582000    
 C    2.914700     -0.3775000     -2.0700000E-02
 C    1.430900       1.703700      0.9818000    
 C    3.311800      0.9625000     -0.1232000    
 C    3.707000      -1.402500     -0.5482000    
 C    4.519400       1.260400     -0.7643000    
 C    4.907100      -1.088300      -1.184000    
 C    5.313100      0.2405000      -1.292200    
 H   -2.915000      0.8114000       2.171700    
 H   -2.700000     -0.9099000       2.053900    
 H   -4.082200       2.061200      0.5812000    
 H   -3.007100       1.601400     -0.7259000    
 H   -4.360500      -1.119800      -1.272100    
 H   -2.647900     -0.8231000      -1.220900    
 H  -0.3037000     -0.7559000       2.342400    
 H  -0.4644000       1.004400       2.564100    
 H   -1.195900     -0.4787000      0.1501000    
 H   -6.027900       1.078300     -0.6178000    
 H   -4.975800      0.6258000      -1.984000    
 H   -4.330900      -2.692900      0.5643000    
 H   -2.565500      -2.514600      0.7302000    
 H   0.7870000       2.491300       1.403200    
 H    3.407700      -2.444100     -0.4739000    
 H    4.850300       2.292100     -0.8569000    
 H    5.526500      -1.879900      -1.595600    
 H    6.248600      0.4834000      -1.787900    
 H   -5.972800       2.593000      -2.301900    
 H   -3.128300      -4.244800     -0.5688000    


%chk=000063563-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063563

0 1
O -3.582791 3.178630 -0.710583
O -3.038263 -2.853503 -2.082523
O 1.235724 -2.000517 1.361195
N -2.726547 -0.225524 0.564559
N -1.298508 -1.075323 2.495973
N 0.604101 0.250152 1.521949
N 1.475858 1.977727 0.075548
C -2.617882 -0.702420 1.952883
C -2.616740 1.212506 0.281603
C -2.345860 -1.167891 -0.502661
C -0.253692 -0.123330 2.732238
C -3.774592 1.723808 -0.594594
C -3.562546 -1.921200 -1.070545
C 1.333438 -0.813319 0.911837
C 2.169474 -0.395555 -0.227519
C 0.721114 1.566344 1.080178
C 2.216008 0.988801 -0.605817
C 2.935289 -1.355574 -0.940252
C 3.035191 1.381845 -1.700736
C 3.737790 -0.951402 -2.018893
C 3.785841 0.421424 -2.397453
H -3.054686 0.081820 2.600557
H -3.241548 -1.610547 2.066345
H -2.652835 1.772729 1.235609
H -1.660856 1.481605 -0.220184
H -1.848226 -0.625745 -1.329604
H -1.611992 -1.914612 -0.135604
H 0.457681 -0.532555 3.470516
H -0.672452 0.826258 3.112450
H -0.953529 -2.016895 2.292530
H -4.741187 1.478048 -0.106791
H -3.743842 1.235835 -1.592969
H -4.277404 -1.199032 -1.519190
H -4.081995 -2.465758 -0.252667
H 0.132333 2.307083 1.632999
H 2.877063 -2.402420 -0.624722
H 3.055973 2.441483 -1.972356
H 4.327219 -1.690110 -2.572138
H 4.414454 0.729680 -3.240216
H -4.233680 3.553446 -1.354376
H -3.780498 -3.387292 -2.461174


