%chk=000058254.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058254

0 1
 O    3.350300     -0.9955000      -1.167000    
 N    1.219800     -0.7298000     -0.3902000    
 N    3.121100     -0.1820000      0.9535000    
 C   0.1857000     -0.3474000      0.5371000    
 C   -1.090500      -1.136100      0.2962000    
 C  -0.2797000       1.075600      0.2782000    
 C   -2.148600     -0.2673000     -5.5100001E-02
 C   -1.650500       1.091500     -6.6200003E-02
 C   -1.287200      -2.503700      0.4005000    
 C   0.4546000       2.247700      0.3614000    
 C   -3.413900     -0.7669000     -0.3162000    
 C   -2.294700       2.286700     -0.3410000    
 C    2.551500     -0.6109000     -0.1300000    
 C   -2.562500      -3.006600      0.1371000    
 C  -0.1950000       3.451800      8.4200002E-02
 C   -3.615100      -2.146900     -0.2189000    
 C   -1.555800       3.471100     -0.2646000    
 C    4.656100     -0.5872000     -0.7921000    
 C    4.554500     -0.3440000      0.6931000    
 H   0.4832000     -0.4636000       1.586300    
 H   0.9320000      -1.043300      -1.313500    
 H  -0.4772000      -3.169400      0.6776000    
 H    1.503400       2.241900      0.6352000    
 H   -4.237800     -0.1156000     -0.5882000    
 H   -3.345800       2.318300     -0.6078000    
 H   -2.745300      -4.075500      0.2089000    
 H   0.3565000       4.386500      0.1402000    
 H   -4.599700      -2.561600     -0.4188000    
 H   -2.040200       4.421000     -0.4753000    
 H    4.912400      0.3240000      -1.342800    
 H    5.384200      -1.366400      -1.035500    
 H    4.931300      -1.201100       1.262000    
 H    5.121000      0.5417000      0.9957000    


%chk=000058254-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058254

0 1
O 3.483523 -1.087072 -1.215161
N 1.266245 -0.721160 -0.556875
N 3.093162 -0.133962 0.898691
C 0.197334 -0.294843 0.360310
C -1.083691 -1.116924 0.195264
C -0.311755 1.143318 0.172689
C -2.202279 -0.255679 -0.007397
C -1.723867 1.144478 -0.023519
C -1.241072 -2.511259 0.227992
C 0.416868 2.343099 0.202798
C -3.496973 -0.796271 -0.161270
C -2.419384 2.360463 -0.195417
C 2.588173 -0.604224 -0.217117
C -2.541438 -3.054984 0.064756
C -0.281494 3.564510 0.020858
C -3.657595 -2.202401 -0.123482
C -1.685557 3.570828 -0.174505
C 4.848780 -0.819350 -0.656699
C 4.573784 -0.328851 0.809173
H 0.618315 -0.401764 1.380371
H 1.034527 -0.946057 -1.524057
H -0.375920 -3.167190 0.375513
H 1.498782 2.329349 0.371443
H -4.365961 -0.145756 -0.310767
H -3.505257 2.375516 -0.341954
H -2.685693 -4.140858 0.086949
H 0.266749 4.513146 0.038255
H -4.655818 -2.638358 -0.243921
H -2.207945 4.524896 -0.308564
H 5.322023 -0.050348 -1.291333
H 5.417274 -1.761055 -0.714395
H 4.900212 -1.074730 1.558276
H 5.094048 0.620491 1.027097


