%chk=000019099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019099

0 1
 O    1.043700      -2.933900     -0.7827000    
 N   6.2000002E-03 -0.8981000     -0.2089000    
 N   -1.215800      -2.846300     -0.7929000    
 C   0.5197000       2.078700      -1.090300    
 C  -0.7365000       1.458900      -1.678700    
 C    1.452700       1.177600     -0.3068000    
 C   -1.598800      0.9327000     -0.5719000    
 C    1.231000     -0.1738000      4.7899999E-02
 C   -1.201600     -0.2128000      0.1294000    
 C    2.680100       1.786000      5.0700001E-02
 C   -2.796400       1.575800     -0.2285000    
 C    2.261100     -0.8514000      0.7409000    
 C   -2.014400     -0.7059000       1.164000    
 C   2.4800001E-02  -2.268500     -0.5744000    
 C    3.676800       1.091900      0.7290000    
 C   -3.595000       1.080400      0.8017000    
 C    3.466400     -0.2315000       1.073900    
 C   -3.204100     -5.9799999E-02   1.497800    
 H   0.2356000       2.914300     -0.4354000    
 H    1.089300       2.506900      -1.926200    
 H  -0.4950000      0.6552000      -2.385500    
 H   -1.279400       2.217100      -2.256400    
 H    2.866300       2.825300     -0.2163000    
 H   -3.114600       2.468000     -0.7619000    
 H    2.125000      -1.874100       1.086000    
 H   -1.720000      -1.587700       1.728300    
 H    4.608500       1.585400      0.9869000    
 H   -4.520900       1.585100       1.061300    
 H    4.229300     -0.7830000       1.615200    
 H   -3.824000     -0.4449000       2.302100    
 H   -1.281700      -3.820500      -1.069700    
 H   -2.089700      -2.334500     -0.7756000    


%chk=000019099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019099

0 1
O 1.095556 -2.781262 -1.031475
N 0.013594 -0.881335 -0.130036
N -1.225442 -2.707818 -1.005016
C 0.528144 2.010426 -1.153474
C -0.758068 1.341413 -1.702572
C 1.482609 1.155891 -0.311559
C -1.658803 0.876865 -0.578291
C 1.259659 -0.181709 0.126539
C -1.231654 -0.223926 0.211261
C 2.714435 1.769069 0.047367
C -2.872031 1.522269 -0.240441
C 2.261417 -0.867665 0.862173
C -1.997153 -0.666497 1.315509
C 0.028871 -2.166753 -0.735759
C 3.707749 1.092511 0.779633
C -3.649714 1.077103 0.853402
C 3.481319 -0.244309 1.181773
C -3.212104 -0.018663 1.633920
H 0.228960 2.894036 -0.553191
H 1.105174 2.405680 -2.012758
H -0.475876 0.484536 -2.343487
H -1.288860 2.071816 -2.340201
H 2.894017 2.802164 -0.277559
H -3.209750 2.375781 -0.840217
H 2.073375 -1.901133 1.163253
H -1.630610 -1.503906 1.918822
H 4.648046 1.596539 1.028235
H -4.588918 1.584246 1.100324
H 4.244064 -0.793687 1.743911
H -3.805341 -0.358578 2.489728
H -1.235556 -3.624804 -1.443508
H -2.098506 -2.225700 -0.803308


