%chk=000054727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054727

0 1
 O    8.082300     -8.8900000E-02 -0.5755000    
 O    6.376700      0.1274000      -2.055600    
 N   -2.078900     -5.4800000E-02  0.1817000    
 N   -2.755400       1.106200      8.4200002E-02
 C    3.482700     -9.6000005E-03   1.252200    
 C    2.018300     -2.1600001E-02  0.9699000    
 C    4.386900      3.9299998E-02  4.4000000E-03
 C  -0.7103000     -4.4000000E-02  0.4449000    
 C    1.316900       1.180000      0.8736000    
 C    1.350200      -1.234700      0.8027000    
 C    5.884400      2.2399999E-02  0.3262000    
 C  -5.2800000E-02   1.168900      0.6102000    
 C  -1.9500000E-02  -1.246000      0.5391000    
 C   -4.096600     -0.6997000     -0.2319000    
 C   -2.836900      -1.174600      9.9999997E-05
 C   -4.023400      0.7407000     -0.1747000    
 C   -5.222800      -1.475800     -0.4752000    
 C   -5.174800       1.524000     -0.3766000    
 C    6.770000      4.3499999E-02 -0.9003000    
 C   -6.358900     -0.6663000     -0.6728000    
 C   -6.338100      0.7634000     -0.6263000    
 H    3.742300     -0.8956000       1.847100    
 H    3.720400      0.8456000       1.899000    
 H    4.149400     -0.8113000     -0.6480000    
 H    4.152100      0.9395000     -0.5787000    
 H    1.826900       2.131400       1.000000    
 H    1.887000      -2.177200      0.8735000    
 H    6.137000      0.8954000      0.9381000    
 H    6.118900     -0.8852000      0.8940000    
 H  -0.5602000       2.127300      0.5431000    
 H  -0.4786000      -2.220500      0.4190000    
 H   -2.471200      -2.190700      4.1299999E-02
 H   -5.252100      -2.555600     -0.5131000    
 H   -5.181000       2.605400     -0.3456000    
 H   -7.311900      -1.155200     -0.8734000    
 H   -7.275300       1.293300     -0.7935000    
 H    8.656700     -9.5399998E-02  -1.370600    


%chk=000054727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054727

0 1
O 8.152812 0.145160 -0.654979
O 6.385322 -0.136514 -2.134313
N -2.087509 -0.165993 0.194239
N -2.794535 1.041197 0.161728
C 3.602013 0.030820 1.329325
C 2.105304 -0.025148 1.066322
C 4.432374 0.000068 0.017025
C -0.682598 -0.132331 0.486855
C 1.348951 1.160425 0.878966
C 1.427820 -1.266326 0.961165
C 5.944717 0.072034 0.299334
C -0.029036 1.118526 0.592137
C 0.048553 -1.329390 0.677964
C -4.182022 -0.792681 -0.306914
C -2.874292 -1.273890 -0.079304
C -4.080410 0.651135 -0.145242
C -5.436624 -1.395973 -0.631825
C -5.227971 1.485182 -0.304630
C 6.786806 0.012251 -0.960335
C -6.546675 -0.560388 -0.784309
C -6.441250 0.868089 -0.621243
H 3.905846 -0.823639 1.966283
H 3.850928 0.952930 1.891054
H 4.201294 -0.920066 -0.550857
H 4.132301 0.842410 -0.633496
H 1.845708 2.134695 0.961760
H 1.984194 -2.199314 1.111906
H 6.208929 1.000777 0.841915
H 6.267119 -0.758282 0.958955
H -0.615598 2.029070 0.452141
H -0.442254 -2.305907 0.623027
H -2.475190 -2.282757 -0.112844
H -5.525997 -2.480335 -0.757201
H -5.146360 2.569335 -0.180772
H -7.522744 -0.991690 -1.032939
H -7.341042 1.480025 -0.750771
H 8.681517 0.097494 -1.497627


