%chk=000046932.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046932

2 1
 O    5.088700      -2.061400      -1.952000    
 O    2.029200     -0.6293000       3.543800    
 O   -4.930300       2.119400       1.299100    
 O   -2.624900      -4.006200      0.4669000    
 N    3.333100      0.4467000      0.2031000    
 N   -3.026100     -0.4572000     -0.6145000    
 N  -9.9999997E-05   1.777800     -0.8447000    
 C    2.031500      0.4630000     -0.5085000    
 C   -2.039000      0.5059000      -1.258300    
 C    1.269200       1.717700     -0.1175000    
 C  -0.9837000      0.8908000     -0.2351000    
 C    4.123700     -0.8250000     -0.1349000    
 C    3.124300      0.4882000       1.723500    
 C   -3.662500      0.2052000      0.5991000    
 C   -2.293800      -1.718100     -0.1787000    
 C    4.187400       1.658700     -0.1938000    
 C   -4.108900     -0.8212000      -1.620000    
 C    4.388000     -0.8682000      -1.627000    
 C    2.256200     -0.6822000       2.141500    
 C   -4.364200       1.476800      0.1646000    
 C   -3.298500      -2.835100      2.4800001E-02
 C  -0.4993000       3.153700     -0.8813000    
 H    2.221200      0.5292000      -1.585500    
 H    1.505900     -0.4803000     -0.3408000    
 H   -1.578700     -3.0900000E-02  -2.098900    
 H   -2.579600       1.349400      -1.694100    
 H    1.854000       2.600400     -0.3962000    
 H    1.059500       1.797600      0.9532000    
 H  -0.4870000     -1.1000000E-02  0.1233000    
 H   -1.393300       1.386200      0.6499000    
 H    3.536700      -1.706600      0.1350000    
 H    5.054000     -0.8318000      0.4449000    
 H    2.718200       1.455700       2.033300    
 H    4.113900      0.4141000       2.193100    
 H   -2.928700      0.3627000       1.394700    
 H   -4.406100     -0.4829000       1.017600    
 H   -1.748900      -1.529100      0.7527000    
 H   -1.573700      -1.997200     -0.9573000    
 H    3.839000       2.540900      0.3514000    
 H    4.108400       1.829000      -1.271000    
 H    5.224900       1.462000      9.5299996E-02
 H   -3.679200      -1.495100      -2.368800    
 H   -4.431300      8.5000001E-02  -2.142300    
 H   -4.969300      -1.266500      -1.111700    
 H    3.473600     -0.8961000      -2.222100    
 H    5.011100     -3.7599999E-02  -1.967200    
 H    2.722700      -1.650400       1.953800    
 H    1.265800     -0.6685000       1.685300    
 H   -5.188000       1.286600     -0.5277000    
 H   -3.691700       2.214900     -0.2741000    
 H   -3.804400      -3.131500     -0.8970000    
 H   -4.048200      -2.591200      0.7819000    
 H   0.2175000       3.807400      -1.391800    
 H  -0.6745000       3.559200      0.1220000    
 H   -1.430900       3.231200      -1.450500    
 H    5.244200      -2.051400      -2.911900    
 H    1.470500      -1.391100       3.774100    
 H   -5.376100       2.923400      0.9820000    
 H   -3.299400      -4.695100      0.5944000    


%chk=000046932-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046932

2 1
O 5.898013 -0.394794 -2.723621
O 2.599516 -2.037778 1.252801
O -5.157435 2.869400 -0.398238
O -4.357608 -2.978520 2.368472
N 3.791171 0.591411 0.226789
N -3.621529 -0.550284 -0.412359
N -0.025448 0.922196 -0.328948
C 2.375099 0.391181 -0.388009
C -2.173315 -0.162725 -0.827505
C 1.186290 0.791456 0.521104
C -1.285750 0.443228 0.290096
C 4.839736 -0.068584 -0.694579
C 3.913302 -0.032847 1.647005
C -4.456734 0.687356 -0.019389
C -3.532988 -1.508786 0.794301
C 4.099932 2.083492 0.371976
C -4.266064 -1.262664 -1.603831
C 5.078497 0.611976 -2.056783
C 3.901499 -1.558142 1.731594
C -4.773529 1.681697 -1.153957
C -4.822375 -2.255767 1.187322
C -0.151537 2.267656 -0.946402
H 2.362887 0.983054 -1.317269
H 2.291212 -0.677987 -0.627986
H -1.702094 -1.085114 -1.207032
H -2.266470 0.542780 -1.667755
H 1.388353 1.735401 1.080402
H 1.029719 -0.013253 1.257976
H -1.038626 -0.335391 1.030641
H -1.816192 1.262619 0.828094
H 4.505597 -1.099483 -0.891703
H 5.792082 -0.103399 -0.138409
H 3.092987 0.388326 2.249506
H 4.870628 0.334749 2.056369
H -3.904429 1.230115 0.763902
H -5.397023 0.322042 0.422113
H -3.205145 -0.918010 1.664930
H -2.756566 -2.256715 0.558213
H 3.483771 2.510113 1.176800
H 3.879364 2.597488 -0.574590
H 5.164671 2.206521 0.623328
H -3.767326 -2.232371 -1.754540
H -4.144712 -0.642531 -2.504366
H -5.336325 -1.418448 -1.404861
H 4.131082 0.786186 -2.608878
H 5.615686 1.575166 -1.946867
H 4.053377 -1.805202 2.802315
H 4.733445 -2.013858 1.161045
H -5.595199 1.314150 -1.799839
H -3.888084 1.889266 -1.792092
H -5.157325 -2.950652 0.391569
H -5.650537 -1.560515 1.435195
H 0.767599 2.524718 -1.499452
H -0.340605 3.065604 -0.192199
H -0.972639 2.288087 -1.682273
H 6.335560 -0.029806 -3.532796
H 2.514087 -3.009332 1.421190
H -5.700082 3.489882 -0.945853
H -5.079375 -3.533758 2.756435


