%chk=000028276.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028276

0 1
 O   0.5645000     -0.1637000     -2.5900001E-02
 O  -0.8087000     -0.9208000      -1.690600    
 N    3.305100     -0.6881000      0.5994000    
 N   -1.645600     -0.1106000      0.3401000    
 C    2.899600      0.4815000     -0.1814000    
 C    1.597200      0.1928000     -0.9455000    
 C    2.757900       1.709900      0.7286000    
 C    1.152000       1.424900      -1.739600    
 C    2.304800       2.934000     -6.6399999E-02
 C    1.023500       2.663100     -0.8505000    
 C    4.589800     -0.4446000       1.253600    
 C    3.382700      -1.871000     -0.2567000    
 C    5.010800      -1.635800       2.097300    
 C    4.368400      -1.662000      -1.393700    
 C  -0.6627000     -0.4462000     -0.5707000    
 C   -3.046100     -0.2344000      0.1945000    
 C   -3.892900      0.1560000       1.220700    
 C   -3.546300     -0.7517000     -0.9912000    
 C   -5.272100      2.6200000E-02   1.057900    
 C   -3.367800      0.7147000       2.503500    
 C   -4.925500     -0.8815000      -1.154000    
 C   -5.788500     -0.4927000     -0.1295000    
 H    3.672700      0.7502000     -0.9140000    
 H    1.720300     -0.6079000      -1.681800    
 H    2.042300       1.513500       1.537200    
 H    3.705500       1.996400       1.194300    
 H    1.897100       1.629900      -2.519500    
 H   0.2016000       1.272300      -2.259900    
 H    2.146700       3.778100      0.6146000    
 H    3.099400       3.231500     -0.7621000    
 H   0.7843000       3.534800      -1.470400    
 H   0.1882000       2.534300     -0.1516000    
 H    5.395400     -0.1421000      0.5760000    
 H    4.487200      0.3615000       1.986600    
 H    3.674100      -2.758000      0.3164000    
 H    2.403100      -2.171900     -0.6419000    
 H    4.187000      -2.012500       2.713600    
 H    5.410500      -2.456700       1.494100    
 H    5.813700      -1.335500       2.780500    
 H    4.434700      -2.598000      -1.962900    
 H    5.388200      -1.448300      -1.064400    
 H    4.060000     -0.9047000      -2.119000    
 H   -1.309600      0.2727000       1.218800    
 H   -2.949200      -1.074900      -1.830700    
 H   -5.959100      0.3241000       1.845600    
 H   -2.727900     -1.6500000E-02   3.008600    
 H   -2.800700       1.633300       2.319800    
 H   -4.177000      0.9688000       3.197100    
 H   -5.329000      -1.285300      -2.078200    
 H   -6.862300     -0.5939000     -0.2565000    


%chk=000028276-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028276

0 1
O 0.494449 0.756136 -0.227879
O -0.643800 -0.520802 -1.854318
N 3.077654 -0.487675 0.578494
N -1.617301 0.117423 0.217790
C 2.952192 0.778520 -0.210040
C 1.698663 0.826237 -1.115770
C 2.960645 2.034194 0.707307
C 1.628213 2.129408 -1.937761
C 2.919792 3.344214 -0.116905
C 1.685889 3.388924 -1.046091
C 4.424865 -0.618872 1.201858
C 2.637183 -1.731242 -0.114024
C 4.531710 -1.779658 2.209353
C 3.481017 -2.192434 -1.335792
C -0.613404 0.054054 -0.735178
C -2.924951 -0.440963 0.158017
C -3.783135 -0.225382 1.282621
C -3.377479 -1.184504 -0.962841
C -5.086694 -0.770734 1.242661
C -3.313541 0.569234 2.490380
C -4.684940 -1.713670 -0.968962
C -5.547694 -1.511557 0.130687
H 3.814120 0.882240 -0.926398
H 1.649370 -0.036384 -1.802257
H 2.082763 1.971737 1.376763
H 3.859999 2.040872 1.347927
H 2.481987 2.131139 -2.645878
H 0.706179 2.112890 -2.548200
H 2.915332 4.213880 0.567948
H 3.843642 3.424016 -0.727872
H 1.707892 4.296307 -1.679438
H 0.766145 3.441493 -0.431873
H 5.232289 -0.721880 0.430687
H 4.637801 0.317368 1.745354
H 2.629957 -2.539491 0.638895
H 1.584382 -1.609612 -0.418921
H 3.708655 -1.723852 2.944161
H 4.496634 -2.770764 1.723077
H 5.491225 -1.713352 2.754636
H 3.044998 -3.113046 -1.765940
H 4.525579 -2.415262 -1.050927
H 3.503593 -1.429191 -2.135543
H -1.357048 0.625977 1.064688
H -2.704183 -1.338094 -1.808520
H -5.749634 -0.609237 2.101327
H -2.428874 0.110658 2.976906
H -3.048398 1.613282 2.226958
H -4.108270 0.621292 3.252461
H -5.025453 -2.285970 -1.839042
H -6.562714 -1.922671 0.125615


