%chk=000138713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138713

0 1
 O    3.881600      -1.117400     -7.2700001E-02
 O    3.900500       1.037700      0.3452000    
 N    3.285000     -2.5300000E-02  8.8500001E-02
 C   -2.396400      0.1119000     -0.3644000    
 C   -3.070100     -0.8512000      0.6612000    
 C  -0.8619000      7.4500002E-02 -0.2413000    
 C   -2.783300     -0.3571000      -1.789600    
 C   -3.002600       1.525600     -0.1925000    
 C   -2.741500     -0.5760000       2.125700    
 C  -0.2256000      -1.126900     -0.4195000    
 C  -0.2050000       1.244800      4.0100001E-02
 C    1.164400      -1.160500     -0.3085000    
 C    1.185100       1.211400      0.1510000    
 C    1.869900      8.7000001E-03 -2.3399999E-02
 H   -4.160700     -0.8027000      0.5408000    
 H   -2.797300      -1.891900      0.4449000    
 H   -2.501400      -1.398200      -1.981200    
 H   -2.299500      0.2612000      -2.555400    
 H   -3.866700     -0.2893000      -1.944900    
 H   -4.095200       1.492000     -0.2867000    
 H   -2.643500       2.218700     -0.9629000    
 H   -2.786600       1.962700      0.7882000    
 H   -3.256500      -1.303600       2.762000    
 H   -3.072300      0.4194000       2.434200    
 H   -1.670200     -0.6649000       2.327000    
 H  -0.7533000      -2.048600     -0.6385000    
 H  -0.6851000       2.204000      0.1844000    
 H    1.664500      -2.115300     -0.4499000    
 H    1.702300       2.141400      0.3740000    


%chk=000138713-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138713

0 1
O 3.967351 -1.196842 -0.074646
O 4.020048 1.048448 0.323242
N 3.387374 -0.051826 0.079058
C -2.450413 0.122500 -0.375462
C -3.088763 -0.877190 0.654303
C -0.912135 0.105486 -0.241507
C -2.828891 -0.351997 -1.813826
C -3.049613 1.536701 -0.164657
C -2.820239 -0.566524 2.142391
C -0.203507 -1.120839 -0.402197
C -0.152556 1.275426 0.028380
C 1.196201 -1.186463 -0.299241
C 1.252382 1.236383 0.134139
C 1.912269 0.001613 -0.030818
H -4.181936 -0.887867 0.469590
H -2.729880 -1.900891 0.428692
H -2.473442 -1.378651 -2.013713
H -2.391188 0.314189 -2.579250
H -3.927966 -0.344652 -1.936413
H -4.150670 1.484280 -0.244398
H -2.694744 2.246898 -0.934211
H -2.806244 1.954180 0.828182
H -3.271965 -1.343657 2.785376
H -3.253316 0.403634 2.445141
H -1.737224 -0.538827 2.360465
H -0.755212 -2.043327 -0.611341
H -0.657972 2.235564 0.159153
H 1.741497 -2.125993 -0.421331
H 1.839354 2.135344 0.340700


