%chk=000047182.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047182

0 1
 O   -2.085300     -0.9053000     -0.5833000    
 O    2.951300      -1.552700     -0.2248000    
 N    3.705500       1.098200     -9.4800003E-02
 N   0.7207000     -0.8655000     -0.4785000    
 C    2.461700      0.7442000     -0.7779000    
 C    4.102600       2.464700     -0.4321000    
 C    3.553000      0.9526000       1.352400    
 C    2.103800     -0.6976000     -0.4610000    
 C    4.325300       2.618400      -1.927000    
 C    4.836700       1.316600       2.079000    
 C  -7.8999996E-03  -2.054100     -0.2348000    
 C   -1.392300      -2.042700     -0.2935000    
 C   0.6909000      -3.214000      6.0199998E-02
 C   -3.004500     -0.4386000      0.4019000    
 C   -2.096500      -3.222200     -5.0900001E-02
 C   -3.127500       1.052600      0.2897000    
 C  -1.3400000E-02  -4.393400      0.3029000    
 C   -1.407000      -4.397400      0.2474000    
 C   -2.274700       1.870700       1.022300    
 C   -4.092700       1.603000     -0.5462000    
 C   -2.388700       3.257000      0.9180000    
 C   -4.206600       2.989300     -0.6507000    
 C   -3.354500       3.816300      8.1600003E-02
 H    2.567100      0.7676000      -1.867700    
 H    1.647400       1.422800     -0.4947000    
 H    3.367400       3.203200     -8.8299997E-02
 H    5.063600       2.717300      2.7200000E-02
 H    3.324100     -7.8699999E-02   1.637800    
 H    2.734400       1.576400       1.735000    
 H    4.956500       1.818000      -2.328200    
 H    3.386900       2.647100      -2.489300    
 H    4.836300       3.567300      -2.126300    
 H    4.776000      0.9757000       3.119100    
 H    5.005800       2.397100       2.119800    
 H    5.710600      0.8321000       1.630300    
 H   0.1455000     -5.4299999E-02 -0.6955000    
 H    1.765100      -3.298500      0.1228000    
 H   -3.979900     -0.9136000      0.2395000    
 H   -2.674200     -0.7072000       1.414700    
 H   -3.181800      -3.243900     -9.9299997E-02
 H   0.5222000      -5.309600      0.5347000    
 H   -1.955100      -5.316300      0.4343000    
 H   -1.516300       1.445400       1.673900    
 H   -4.760000      0.9683000      -1.122700    
 H   -1.724400       3.900800       1.487000    
 H   -4.958100       3.425000      -1.302600    
 H   -3.442900       4.895700     -9.9999997E-05


%chk=000047182-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047182

0 1
O -1.755644 -0.655250 0.133127
O 3.058505 -1.536744 -0.475181
N 3.822925 1.279196 -0.156504
N 0.833756 -0.832280 -0.227526
C 2.521746 0.874998 -0.699747
C 4.304240 2.571407 -0.704776
C 3.879470 1.197890 1.326647
C 2.194191 -0.615443 -0.445276
C 4.696299 2.497412 -2.193529
C 5.316166 1.082093 1.869762
C 0.154535 -2.065514 -0.061541
C -1.260363 -1.978695 0.135725
C 0.770231 -3.339625 -0.076769
C -3.211515 -0.462586 0.348430
C -2.039923 -3.138502 0.308667
C -3.485902 1.022529 0.343397
C -0.016835 -4.502243 0.097936
C -1.410955 -4.407602 0.289189
C -3.235137 1.799858 1.502741
C -3.985626 1.659539 -0.819292
C -3.476477 3.191166 1.498651
C -4.231920 3.051258 -0.825782
C -3.977026 3.819560 0.333625
H 2.540063 1.009647 -1.797875
H 1.673633 1.508566 -0.316867
H 3.552163 3.390583 -0.552009
H 5.199790 2.858470 -0.126213
H 3.328815 0.288199 1.627304
H 3.357123 2.067447 1.805109
H 5.417885 1.677458 -2.351172
H 3.827480 2.322343 -2.853899
H 5.162574 3.448290 -2.511601
H 5.297513 0.934933 2.965700
H 5.920344 1.985062 1.667791
H 5.817875 0.217060 1.403987
H 0.218713 -0.011950 -0.185252
H 1.850422 -3.397152 -0.221999
H -3.763496 -0.978493 -0.461963
H -3.484878 -0.923249 1.318990
H -3.121920 -3.071445 0.455094
H 0.469672 -5.483142 0.084040
H -2.015229 -5.310936 0.423913
H -2.847748 1.313059 2.405858
H -4.178967 1.065511 -1.720778
H -3.280392 3.783169 2.399386
H -4.620890 3.533635 -1.729174
H -4.169185 4.898311 0.330954


