%chk=000054347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054347

0 1
 O    2.653000      4.9000001E-03  0.2950000    
 O    1.483400     -0.1684000      -1.685200    
 N   -1.010300      -3.773800      0.4180000    
 C  -0.7079000      -1.378300     -0.1898000    
 C   0.7605000      -1.390100      0.2883000    
 C   -1.344300     -3.9999999E-04 -4.6900000E-02
 C   -1.563600      -2.429100      0.5500000    
 C   -2.335600      0.3685000     -0.9313000    
 C  -0.9081000      0.8317000      0.9622000    
 C    1.642400     -0.4467000     -0.5043000    
 C   -2.918100       1.629200     -0.8005000    
 C   -1.490900       2.092300       1.092900    
 C   -2.495900       2.490900      0.2115000    
 C    3.593100      0.8803000     -0.3359000    
 C    4.642300       1.289000      0.6760000    
 H  -0.7018000      -1.630700      -1.260600    
 H    1.202800      -2.380200      0.1232000    
 H   0.8497000      -1.197400       1.362300    
 H   -1.646500      -2.182700       1.615300    
 H   -2.583600      -2.434800      0.1483000    
 H   -2.670800     -0.2974000      -1.720600    
 H  -0.1541000      0.5596000       1.689900    
 H  -0.1347000      -3.847000      0.9325000    
 H  -0.7892000      -3.963300     -0.5585000    
 H   -3.701100       1.939400      -1.486200    
 H   -1.167400       2.761400       1.885000    
 H   -2.950700       3.471800      0.3144000    
 H    4.070000      0.3608000      -1.174500    
 H    3.071200       1.769300     -0.7076000    
 H    5.378800       1.960600      0.2262000    
 H    4.178100       1.793800       1.529700    
 H    5.160600      0.4089000       1.070600    


%chk=000054347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054347

0 1
O 2.666917 0.056057 0.200791
O 1.726451 -0.692630 -1.795865
N -1.140161 -3.871349 0.440730
C -0.660094 -1.394214 -0.117758
C 0.813362 -1.469977 0.363612
C -1.267050 -0.003143 0.048353
C -1.540624 -2.472689 0.616926
C -1.815714 0.680745 -1.066550
C -1.339084 0.621135 1.322745
C 1.746233 -0.686203 -0.541807
C -2.418900 1.950526 -0.917641
C -1.940621 1.889367 1.476569
C -2.485210 2.559786 0.356137
C 3.646259 0.866554 -0.589860
C 4.529923 1.594516 0.417647
H -0.657543 -1.646647 -1.196778
H 1.133084 -2.532798 0.326929
H 0.930335 -1.118729 1.402695
H -1.557391 -2.251370 1.701489
H -2.581316 -2.353807 0.260231
H -1.757096 0.217632 -2.059062
H -0.918818 0.118695 2.203011
H -0.328681 -4.189474 0.972570
H -1.170348 -4.230771 -0.515599
H -2.832166 2.463724 -1.793516
H -1.985625 2.355165 2.467810
H -2.951937 3.544185 0.474617
H 4.218233 0.181179 -1.241542
H 3.077451 1.559456 -1.235606
H 5.272898 2.215437 -0.115564
H 3.926805 2.253712 1.065080
H 5.071730 0.878030 1.058605


