%chk=000049194.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049194

0 1
 O  -0.1306000      0.5003000       2.150100    
 O  -0.2429000      -1.009200      -2.295000    
 O    2.936600      -2.555500      0.6302000    
 N    1.460700     -0.9518000       1.361700    
 N    1.405100      -1.705400     -0.8589000    
 C   7.1099997E-02  0.2631000     -0.2547000    
 C   0.9482000       1.454000     -0.6811000    
 C   -1.408500      0.6619000     -0.3528000    
 C   -2.305000     -0.4516000      0.1687000    
 C   0.4193000     -5.0799999E-02   1.196900    
 C   0.3582000     -0.8746000      -1.229500    
 C   0.6968000       1.799300      -2.146100    
 C   -3.775000     -3.9299998E-02  9.6299998E-02
 C   0.6639000       2.642100      0.1965000    
 C    2.010400      -1.779100      0.3898000    
 C   -4.686100      -1.125900      0.6447000    
 C    1.577800       3.222400      0.9830000    
 H   -1.714000      0.8764000      -1.382500    
 H   -1.644600       1.551100      0.2398000    
 H    2.010000       1.183900     -0.5896000    
 H   -2.167400      -1.366700     -0.4189000    
 H   -2.075300     -0.7076000       1.207800    
 H    1.021300       1.012100      -2.831900    
 H    1.295700       2.679100      -2.417300    
 H  -0.3382000       2.067700      -2.373000    
 H   -4.053200      0.1723000     -0.9427000    
 H   -3.935000      0.8813000      0.6698000    
 H  -0.3062000       3.127400      0.1356000    
 H    1.806500      -1.077500       2.309000    
 H    1.709800      -2.386800      -1.548500    
 H   -4.458900      -1.336300       1.694700    
 H   -4.575300      -2.054800      7.5999998E-02
 H   -5.732400     -0.8113000      0.5804000    
 H    1.325400       4.105300       1.560100    
 H    2.585000       2.830000       1.068200    


%chk=000049194-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049194

0 1
O -0.163979 0.583662 2.223919
O -0.186996 -1.139526 -2.237429
O 3.079618 -2.422055 0.807394
N 1.517914 -0.805658 1.460315
N 1.474288 -1.689072 -0.728353
C 0.006571 0.273654 -0.219214
C 0.938408 1.505754 -0.722983
C -1.506285 0.597757 -0.328633
C -2.439197 -0.527717 0.175213
C 0.399269 0.029983 1.247976
C 0.374704 -0.904366 -1.136441
C 0.513351 2.016817 -2.124637
C -3.929930 -0.159578 -0.003249
C 0.948722 2.652235 0.272443
C 2.103332 -1.681854 0.531054
C -4.881554 -1.266257 0.498969
C 2.074883 3.171476 0.819374
H -1.736203 0.799668 -1.389186
H -1.707847 1.518047 0.249702
H 1.971933 1.109294 -0.793463
H -2.232812 -1.462769 -0.383583
H -2.243741 -0.728386 1.246490
H 0.385345 1.192316 -2.846867
H 1.291627 2.701779 -2.504125
H -0.432196 2.584142 -2.075596
H -4.129309 0.043734 -1.075120
H -4.139363 0.784242 0.540554
H -0.026642 3.096827 0.516240
H 1.885243 -0.858159 2.416065
H 1.814739 -2.394578 -1.389858
H -4.721039 -1.468488 1.574655
H -4.714147 -2.212314 -0.049586
H -5.940686 -0.980351 0.363262
H 2.037488 4.027995 1.501001
H 3.067692 2.757245 0.600496


