%chk=000049477.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049477

0 1
 O   -1.163500      -1.222800     -0.6296000    
 O    1.791300       2.504800     -0.6961000    
 O   -4.136000       1.014500       1.010000    
 N    2.186100     -0.8882000     -0.2432000    
 C    2.859400      0.1199000      0.5875000    
 C    3.157900      -1.795100     -0.8701000    
 C    3.690900     -0.5387000       1.689400    
 C    3.999300      -2.516200      0.1841000    
 C    4.697200      -1.525900       1.109400    
 C    1.358400     -0.2423000      -1.261500    
 C   0.2996000      0.6275000     -0.6621000    
 C  -0.9569000      0.1019000     -0.3578000    
 C   0.5711000       1.971700     -0.4064000    
 C   -1.935100      0.9166000      0.1997000    
 C  -0.4116000       2.788600      0.1529000    
 C   -1.668100       2.264000      0.4582000    
 C   -3.248400      0.3354000      0.5093000    
 C   -3.438300      -1.108700      0.1874000    
 C   -2.400700      -1.784600     -0.3474000    
 C   -4.802300      -1.663100      0.4774000    
 C   -2.430800      -3.246500     -0.6896000    
 C    1.980500       3.887200     -0.4015000    
 H    2.146500      0.7433000       1.132400    
 H    3.512800      0.7627000     -1.5600000E-02
 H    3.818300      -1.247500      -1.555500    
 H    2.630900      -2.553700      -1.461600    
 H    4.218500      0.2296000       2.266100    
 H    3.026900      -1.063600       2.388300    
 H    3.356100      -3.179200      0.7767000    
 H    4.745000      -3.150700     -0.3080000    
 H    5.465000     -0.9791000      0.5484000    
 H    5.208000      -2.061200       1.917200    
 H   0.8870000      -1.003700      -1.896900    
 H    1.976100      0.3426000      -1.957800    
 H  -0.2724000       3.840200      0.3790000    
 H   -2.421200       2.915100      0.8934000    
 H   -4.949700      -1.757000       1.558100    
 H   -4.974600      -2.642200      2.4000000E-02
 H   -5.578300     -0.9997000      7.9700001E-02
 H   -1.465800      -3.708900     -0.4526000    
 H   -2.616100      -3.378100      -1.760200    
 H   -3.185500      -3.804000     -0.1295000    
 H    3.004500       4.140900     -0.6951000    
 H    1.901100       4.085700      0.6729000    
 H    1.314100       4.522200     -0.9950000    


%chk=000049477-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049477

0 1
O -0.985340 -1.097187 -0.618659
O 1.700139 2.848665 -0.863362
O -4.223067 0.940713 1.040358
N 2.188382 -0.779058 -0.255920
C 2.974259 0.035962 0.703990
C 3.018679 -1.837300 -0.884372
C 3.567091 -0.849218 1.819603
C 3.610278 -2.780597 0.182297
C 4.431269 -1.982851 1.220708
C 1.499965 0.049472 -1.288270
C 0.364932 0.877788 -0.711583
C -0.871628 0.279988 -0.367869
C 0.470311 2.278731 -0.503058
C -1.964040 0.999353 0.183782
C -0.608478 3.036945 0.040697
C -1.804447 2.393153 0.382426
C -3.228156 0.312373 0.537389
C -3.265176 -1.144521 0.273256
C -2.170734 -1.774220 -0.283240
C -4.533800 -1.892515 0.631545
C -2.038762 -3.231212 -0.624147
C 1.869399 4.295261 -0.696014
H 2.306685 0.801100 1.138985
H 3.804733 0.582556 0.181403
H 3.860150 -1.394775 -1.484842
H 2.379870 -2.408969 -1.584310
H 4.166546 -0.221404 2.507129
H 2.734921 -1.287780 2.403819
H 2.778777 -3.304818 0.692290
H 4.240278 -3.546062 -0.311025
H 5.321375 -1.542398 0.724353
H 4.804533 -2.651879 2.019282
H 1.078252 -0.652078 -2.031303
H 2.211411 0.725181 -1.816617
H -0.510062 4.114418 0.196585
H -2.650724 2.942012 0.807894
H -4.353722 -2.676895 1.390013
H -4.998771 -2.372330 -0.249179
H -5.251282 -1.167204 1.049729
H -1.124382 -3.648253 -0.164981
H -1.946673 -3.369400 -1.717804
H -2.910433 -3.801032 -0.271158
H 2.891244 4.502295 -1.045832
H 1.771102 4.592596 0.365506
H 1.142296 4.859097 -1.311094


