%chk=000058075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058075

0 1
 O   0.1748000     -0.3536000     -0.4738000    
 O   -1.420400      -1.321600      0.8652000    
 N   -5.551500      0.3628000     -0.3998000    
 N   -1.973200     -0.3038000      -1.146100    
 C   -6.327500       1.572100     -0.1263000    
 C   -5.930600     -0.5779000      0.6541000    
 C   -7.698500       1.021600      0.2375000    
 C   -7.437300     -0.3900000      0.7537000    
 C   -4.118800      0.6168000     -0.4289000    
 C   -3.392400     -0.5306000      -1.115400    
 C    2.536100     -0.2426000     -3.7799999E-02
 C   -1.103000     -0.7174000     -0.1540000    
 C    3.664200     -0.6181000      0.9215000    
 C    1.184300     -0.7217000      0.4727000    
 C    4.998000     -0.1063000      0.4412000    
 C    5.790300     -0.8979000     -0.3903000    
 C    5.439900       1.159000      0.8277000    
 C    7.024600     -0.4243000     -0.8352000    
 C    6.674300       1.632600      0.3826000    
 C    7.466500      0.8408000     -0.4488000    
 H   -6.378400       2.236800     -0.9944000    
 H   -5.915600       2.133900      0.7219000    
 H   -5.464800     -0.3263000       1.615700    
 H   -5.680800      -1.614000      0.4063000    
 H   -8.194400       1.643400      0.9897000    
 H   -8.347900      0.9792000     -0.6449000    
 H   -7.963500      -1.117800      0.1249000    
 H   -7.790500     -0.5172000       1.782100    
 H   -3.918100       1.528600      -1.008100    
 H   -3.713300      0.7996000      0.5750000    
 H   -3.726100     -0.6358000      -2.153800    
 H   -3.574600      -1.481500     -0.6033000    
 H   -1.584700      0.1961000      -1.940100    
 H    2.500600      0.8446000     -0.1859000    
 H    2.720600     -0.6668000      -1.033500    
 H    3.711000      -1.708000       1.041400    
 H    3.459200     -0.2158000       1.922000    
 H    1.190100      -1.811800      0.5879000    
 H   0.9599000     -0.2561000       1.439500    
 H    5.456000      -1.884600     -0.6997000    
 H    4.830900       1.785900       1.473400    
 H    7.641300      -1.040400      -1.483000    
 H    7.018300       2.618000      0.6830000    
 H    8.427400       1.209700     -0.7954000    


%chk=000058075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058075

0 1
O 0.226702 -0.304668 -0.379725
O -1.379329 -1.436281 0.932847
N -5.636484 0.414078 -0.393597
N -1.952476 -0.265657 -1.027743
C -6.491735 1.605711 -0.158380
C -6.097206 -0.618153 0.580789
C -7.895309 0.986734 0.001631
C -7.624529 -0.353640 0.758083
C -4.187984 0.677601 -0.385107
C -3.396622 -0.521404 -0.961815
C 2.610126 -0.227235 0.039936
C -1.083086 -0.732005 -0.067827
C 3.791868 -0.654362 0.955937
C 1.276589 -0.758868 0.567564
C 5.128494 -0.135717 0.444522
C 5.870159 -0.867759 -0.518810
C 5.643475 1.109483 0.888176
C 7.091009 -0.369984 -1.027395
C 6.863965 1.612433 0.382850
C 7.592322 0.874002 -0.578302
H -6.419559 2.309974 -1.006941
H -6.202379 2.157323 0.773881
H -5.566770 -0.509666 1.559942
H -5.886398 -1.633688 0.201295
H -8.587755 1.651483 0.546763
H -8.323515 0.783075 -0.995094
H -8.233559 -1.174281 0.342843
H -7.876227 -0.265148 1.829570
H -3.994394 1.571175 -1.010554
H -3.801073 0.899120 0.643047
H -3.783108 -0.752921 -1.971282
H -3.539735 -1.410906 -0.325490
H -1.563669 0.306073 -1.778153
H 2.569267 0.876036 -0.025965
H 2.778049 -0.605239 -0.985782
H 3.813504 -1.760323 1.019513
H 3.606657 -0.277569 1.981003
H 1.261470 -1.864104 0.618085
H 1.043797 -0.367668 1.576150
H 5.490524 -1.836761 -0.867622
H 5.086587 1.685682 1.637965
H 7.652128 -0.951656 -1.767788
H 7.248213 2.574706 0.740401
H 8.540397 1.260578 -0.968921


