%chk=000031514.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031514

0 1
 O  -0.7312000     -0.9572000      0.7204000    
 O   -2.722100      0.1009000     -0.1329000    
 O    1.797500      0.4207000      0.9497000    
 O    2.326200     -0.2402000      -1.215900    
 N    3.710300     -0.7941000      0.5617000    
 C   -2.136000      -1.112300      0.4004000    
 C   -2.272400      -2.215400     -0.6484000    
 C   -2.883100      -1.487100       1.679500    
 C  -0.5168000      0.3410000      0.3688000    
 C   -1.653200      0.9450000     -0.1185000    
 C   -1.508800      -1.872800      -1.912400    
 C   0.6802000       1.019500      0.4689000    
 C   -1.655700       2.260800     -0.5331000    
 C   0.7050000       2.353600      5.5599999E-02
 C  -0.4562000       2.970600     -0.4427000    
 C    2.600600     -0.2158000     -1.9700000E-02
 C    4.715700      -1.517200     -0.1815000    
 H   -3.327500      -2.364300     -0.9073000    
 H   -1.882500      -3.161900     -0.2551000    
 H   -3.953500      -1.620000       1.490800    
 H   -2.477600      -2.401900       2.124000    
 H   -2.783300     -0.6925000       2.428000    
 H   -1.630500      -2.679400      -2.643800    
 H   -1.879000     -0.9561000      -2.381300    
 H  -0.4353000      -1.766100      -1.729300    
 H   -2.553100       2.732500     -0.9166000    
 H    1.626500       2.927200      0.1168000    
 H  -0.4180000       4.009300     -0.7596000    
 H    3.827100     -0.7054000       1.566400    
 H    4.772400      -2.531900      0.2197000    
 H    5.675300      -1.016000     -3.3300001E-02
 H    4.476200      -1.552200      -1.246800    


%chk=000031514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031514

0 1
O -0.555984 -0.839182 0.646540
O -2.682277 0.076256 -0.021784
O 1.990311 0.785606 0.669708
O 2.003348 -0.775437 -1.131998
N 3.630384 -0.775469 0.571314
C -2.006670 -1.211961 0.398813
C -2.072949 -2.225020 -0.750842
C -2.614408 -1.670902 1.718679
C -0.432436 0.513102 0.293798
C -1.677430 1.065275 -0.075592
C -1.392804 -1.748823 -2.050398
C 0.725709 1.299796 0.282166
C -1.828239 2.411144 -0.422214
C 0.606389 2.667979 -0.066688
C -0.652627 3.212500 -0.404654
C 2.505298 -0.332096 -0.076338
C 4.433368 -1.890105 0.063662
H -3.142395 -2.450669 -0.928919
H -1.597650 -3.158399 -0.391793
H -3.680163 -1.919105 1.577112
H -2.084190 -2.566264 2.085405
H -2.532350 -0.873113 2.474797
H -1.462398 -2.535756 -2.822591
H -1.885393 -0.843287 -2.445691
H -0.325769 -1.523690 -1.881315
H -2.803051 2.820896 -0.697567
H 1.509969 3.284433 -0.071560
H -0.723710 4.271894 -0.670117
H 3.887146 -0.303087 1.438275
H 4.462725 -2.724571 0.788445
H 5.468340 -1.571012 -0.158974
H 3.967105 -2.249632 -0.867181


