%chk=000022498.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022498

0 1
 O   -1.413600       1.031300      0.4129000    
 O   -1.558800     -0.7504000       3.255100    
 O   -3.275200      -1.275200       1.991100    
 O    1.572700      -4.150900      -1.494600    
 O   0.5216000      -4.942200      0.2628000    
 O   -3.226800      0.4376000     -0.9415000    
 N   -2.045800      -1.088700       2.150500    
 N   0.8047000      -3.998400     -0.5141000    
 C   0.3239000      0.7501000      -1.830100    
 C    1.831200       1.080900      -1.868600    
 C    2.405300       1.415900     -0.4865000    
 C    3.917500       1.646000     -0.5552000    
 C  -1.6200000E-02 -0.3959000     -0.8928000    
 C    4.484900       2.008900      0.8190000    
 C  -0.1825000      0.4540000      -3.247000    
 C    5.999400       2.227300      0.8112000    
 C  -0.8732000     -0.2024000      0.1908000    
 C   0.5398000      -1.653600      -1.126000    
 C   -1.174100      -1.266600       1.040700    
 C   0.2390000      -2.717900     -0.2760000    
 C  -0.6181000      -2.524300      0.8074000    
 C    6.564600       2.612300       2.169600    
 C   -2.637800       1.237700     -0.2312000    
 C   -3.106100       2.604000      9.3000002E-02
 C   -4.265500       3.048900     -0.4084000    
 C   -4.810900       4.411800     -0.1322000    
 H  -0.1821000       1.666400      -1.505300    
 H    1.995000       1.934600      -2.539000    
 H    2.392800      0.2413000      -2.297400    
 H    2.211700      0.6025000      0.2213000    
 H    1.909000       2.311800     -9.4099998E-02
 H    4.137100       2.452000      -1.265700    
 H    4.411700      0.7409000     -0.9282000    
 H    3.993300       2.919500       1.183300    
 H    4.243400       1.211900       1.533400    
 H   -1.255000      0.2297000      -3.242000    
 H  -2.7700000E-02   1.321400      -3.898100    
 H   0.3349000     -0.3964000      -3.703900    
 H    6.496100       1.312300      0.4670000    
 H    6.248500       3.014500      8.9599997E-02
 H    1.207100      -1.791700      -1.972800    
 H  -0.8662000      -3.340800       1.482700    
 H    6.118300       3.545500       2.527500    
 H    6.366700       1.830800       2.909900    
 H    7.647700       2.754800       2.104700    
 H   -2.491100       3.222000      0.7378000    
 H   -4.868700       2.415300      -1.053200    
 H   -5.790000       4.330500      0.3497000    
 H   -4.156100       4.996300      0.5219000    
 H   -4.933700       4.960900      -1.070800    


%chk=000022498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022498

0 1
O -1.513291 0.937386 0.342764
O -2.238569 -2.033950 3.036816
O -3.334576 -0.454127 1.810214
O 1.726169 -4.299008 -1.347031
O 0.492836 -5.130972 0.382923
O -3.130698 0.737468 -1.358926
N -2.368818 -1.286500 1.993035
N 0.847459 -4.178354 -0.409755
C 0.372640 0.624914 -1.880854
C 1.906721 0.884873 -1.876605
C 2.462287 1.353976 -0.513234
C 3.981636 1.633945 -0.546387
C -0.021343 -0.517609 -0.945475
C 4.535064 2.147514 0.802129
C -0.154208 0.337834 -3.313884
C 6.057031 2.416799 0.775218
C -0.991614 -0.342842 0.078916
C 0.561984 -1.796050 -1.093588
C -1.344939 -1.430222 0.926394
C 0.203499 -2.850341 -0.232179
C -0.741393 -2.691377 0.794861
C 6.597793 2.948247 2.120365
C -2.680676 1.384624 -0.395918
C -3.135660 2.659181 0.175921
C -4.216000 3.309905 -0.344071
C -4.779231 4.600579 0.177931
H -0.115872 1.547620 -1.516020
H 2.117861 1.659006 -2.641792
H 2.447084 -0.026257 -2.207217
H 2.250789 0.589466 0.262188
H 1.925470 2.272772 -0.197831
H 4.201200 2.379561 -1.339363
H 4.519817 0.706682 -0.834353
H 4.004042 3.080457 1.085317
H 4.309267 1.408049 1.598773
H -1.248093 0.190010 -3.309862
H 0.080993 1.187429 -3.980332
H 0.317426 -0.566891 -3.741008
H 6.587822 1.481103 0.505193
H 6.283662 3.145844 -0.029646
H 1.304040 -1.986839 -1.873753
H -1.000252 -3.514827 1.464526
H 6.104902 3.899457 2.396942
H 6.411033 2.224935 2.936505
H 7.686901 3.132542 2.075290
H -2.584239 3.038769 1.041038
H -4.721900 2.849153 -1.206147
H -5.831203 4.460398 0.494974
H -4.205709 4.992322 1.034129
H -4.796441 5.369543 -0.618932


