%chk=000064888.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064888

0 1
 O  -6.8599999E-02  -3.171800      -1.435500    
 O   -1.126000     -0.9572000       1.673200    
 O   -3.755700     -0.8804000       1.584400    
 N  -0.1452000     -0.6273000     -0.4024000    
 N    1.350600      -3.778400      0.2657000    
 C    1.033500      -1.420600     -0.1611000    
 C    2.233800     -0.9407000     -0.9849000    
 C    2.906500      0.2704000     -0.3857000    
 C   0.6865000      -2.858500     -0.5182000    
 C   -1.140900     -0.4602000      0.5501000    
 C    2.481300       1.536600     -0.7560000    
 C    3.937100      9.4899997E-02  0.5244000    
 C   -2.304800      0.3656000      0.1373000    
 C    3.102600       2.656000     -0.2023000    
 C    4.558300       1.214300       1.078200    
 C   -3.550700      0.1137000      0.6749000    
 C    4.141100       2.494800      0.7148000    
 C   -2.093200       1.370900     -0.7855000    
 C   -4.630800      0.8998000      0.2733000    
 C   -3.173400       2.156800      -1.187000    
 C   -4.442100       1.921300     -0.6577000    
 H    1.262900      -1.376300      0.9115000    
 H    1.934800     -0.7239000      -2.019600    
 H    2.979500      -1.743200      -1.069500    
 H  -0.2857000     -0.2885000      -1.348800    
 H    1.674000       1.673200      -1.469800    
 H    4.267100     -0.8981000      0.8157000    
 H    2.777700       3.653000     -0.4851000    
 H    5.366400       1.089000       1.793000    
 H    4.624700       3.366300       1.146200    
 H   -1.116100       1.606100      -1.195000    
 H    1.219600      -4.774500      0.1233000    
 H    1.990300      -3.505100       1.004900    
 H   -5.621900      0.7219000      0.6819000    
 H   -3.025600       2.957300      -1.906100    
 H   -5.282800       2.534400     -0.9690000    
 H   -2.954500      -1.416500       1.692500    


%chk=000064888-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064888

0 1
O 1.725185 -3.521288 -1.992203
O -1.028700 -1.824075 1.208434
O -3.291765 -0.973873 1.936048
N 0.191450 -0.831798 -0.483673
N 0.160812 -3.888497 -0.299177
C 1.352586 -1.733489 -0.304097
C 2.627455 -1.096403 -0.905727
C 2.891915 0.320270 -0.414442
C 1.100020 -3.134568 -0.960711
C -0.911570 -0.864522 0.323869
C 2.868884 1.412218 -1.319605
C 3.163639 0.582700 0.954203
C -1.966582 0.166800 0.196030
C 3.106616 2.733473 -0.872365
C 3.401177 1.898937 1.405293
C -3.140324 0.044224 1.022635
C 3.371533 2.980864 0.493152
C -1.880957 1.269846 -0.702427
C -4.187450 0.996925 0.910411
C -2.917422 2.210378 -0.803854
C -4.077041 2.064409 0.006423
H 1.465319 -1.891866 0.785640
H 2.546880 -1.126820 -2.007368
H 3.470051 -1.765470 -0.653077
H 0.286696 -0.087182 -1.175885
H 2.686496 1.223802 -2.385807
H 3.194530 -0.248549 1.670168
H 3.091325 3.563340 -1.587930
H 3.611711 2.082876 2.464809
H 3.557399 4.002162 0.843353
H -0.990199 1.412349 -1.326970
H -0.083706 -4.806384 -0.671407
H -0.365996 -3.465534 0.480366
H -5.065876 0.869939 1.549471
H -2.831390 3.051356 -1.498535
H -4.890572 2.794225 -0.069372
H -2.431829 -1.545675 1.890428


