%chk=000093499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093499

0 1
 O   -4.571900      0.7951000     -0.5310000    
 N   -1.021600     -0.2103000     -0.3350000    
 N    1.824800     -1.4800000E-02 -0.1957000    
 N   -4.733700     -0.6411000       1.235200    
 N   -6.512500     -0.3946000     -0.3454000    
 C  -0.3771000       1.083500     -7.8800000E-02
 C  -0.1776000      -1.022000      -1.220800    
 C   -2.345800     -1.6100001E-02 -0.9246000    
 C   0.9869000      0.8960000      0.5903000    
 C    1.192200      -1.280100     -0.5889000    
 C   -3.259400      0.7550000      1.7100001E-02
 C   -3.454200      6.8899997E-02   1.354400    
 C    3.214000      1.7000000E-03 -2.8400000E-02
 C   -5.283800     -0.1282000      0.1787000    
 C    3.961600       1.169900     -0.2785000    
 C    3.907500      -1.149800      0.3949000    
 C    5.346400       1.186000     -0.1123000    
 C    5.292400      -1.133500      0.5613000    
 C    6.011700      3.4299999E-02  0.3076000    
 H  -0.2555000       1.650400      -1.011600    
 H  -0.9570000       1.702600      0.6113000    
 H  -0.6546000      -1.991100      -1.410900    
 H  -4.6200000E-02 -0.5262000      -2.192200    
 H   -2.289300      0.5076000      -1.888700    
 H   -2.800500     -0.9913000      -1.145600    
 H   0.8606000      0.4883000       1.601500    
 H    1.457900       1.880300      0.6941000    
 H    1.807000      -1.812700      -1.325400    
 H    1.074000      -1.927600      0.2897000    
 H   -2.939400       1.792600      0.1465000    
 H   -2.651700     -0.6201000       1.631900    
 H   -3.541900      0.8104000       2.157400    
 H    3.464600       2.076400     -0.6169000    
 H    3.382500      -2.075100      0.6177000    
 H    5.907000       2.094600     -0.3119000    
 H    5.810700      -2.029000      0.8915000    
 H    7.090000      4.6900000E-02  0.4373000    
 H   -7.136700      -1.065700      8.8699996E-02
 H   -6.839000      6.9200002E-02  -1.186100    


%chk=000093499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093499

0 1
O -4.683671 0.852599 -0.461564
N -0.998329 -0.007160 -0.332599
N 1.898726 0.022664 -0.212964
N -4.982227 -0.888506 1.091726
N -6.728997 -0.290660 -0.462004
C -0.248458 1.270559 -0.397845
C -0.197094 -1.083573 -0.961313
C -2.376708 0.092600 -0.864179
C 1.094354 1.137908 0.338355
C 1.155817 -1.252010 -0.245607
C -3.338634 0.675915 0.190420
C -3.633611 -0.301884 1.375778
C 3.305663 0.007944 -0.025370
C -5.485919 -0.183840 0.111724
C 4.067155 1.215786 -0.096976
C 4.020631 -1.208761 0.197899
C 5.468265 1.200442 0.042932
C 5.426313 -1.211911 0.325955
C 6.167440 -0.012150 0.252724
H -0.058213 1.572282 -1.459071
H -0.839543 2.070816 0.083069
H -0.756903 -2.034020 -0.890409
H -0.005119 -0.873178 -2.044029
H -2.434176 0.708521 -1.793493
H -2.731216 -0.923316 -1.122177
H 0.890897 0.966311 1.420413
H 1.647553 2.084770 0.245496
H 1.744672 -1.999833 -0.804042
H 0.977455 -1.644331 0.782835
H -3.021745 1.678370 0.521583
H -2.861503 -1.088726 1.429056
H -3.652474 0.222563 2.349667
H 3.570416 2.170994 -0.293998
H 3.485026 -2.157161 0.297066
H 6.019898 2.145564 -0.025515
H 5.941660 -2.164236 0.498624
H 7.257246 -0.018801 0.357315
H -7.391414 -0.957484 -0.079514
H -6.970832 0.285333 -1.261570


