%chk=000058452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058452

0 1
 O   0.4198000     -0.9113000     -0.2796000    
 O    1.750000      -2.234700       1.044900    
 N    5.821600       1.566400      0.3067000    
 N    2.586200      -1.166100     -0.8381000    
 C    4.833400     -0.6924000      6.0699999E-02
 C    4.952900      0.7248000     -0.5072000    
 C    3.945000      -1.627300     -0.7579000    
 C   -1.915300     -0.4445000      4.7899999E-02
 C   -3.140100     -0.6775000      0.9306000    
 C  -0.6936000      -1.180700      0.5796000    
 C   -4.362200      1.3600000E-02  0.3822000    
 C    5.569300       2.982700      3.5100002E-02
 C    7.228700       1.245400      6.0600001E-02
 C    1.599300      -1.506900      6.9200002E-02
 C   -4.654900       1.322100      0.7671000    
 C   -5.200100     -0.6548000     -0.5104000    
 C   -5.785700       1.962000      0.2596000    
 C   -6.330800     -1.4700000E-02  -1.018000    
 C   -6.623500       1.293700     -0.6330000    
 H    4.446200     -0.6359000       1.086600    
 H    5.820900      -1.162500      0.1231000    
 H    5.285400      0.6930000      -1.553200    
 H    3.942400       1.154000     -0.5189000    
 H    4.323200      -1.711500      -1.782100    
 H    3.954700      -2.627500     -0.3109000    
 H   -1.691400      0.6278000     -2.4200000E-02
 H   -2.112900     -0.7710000     -0.9815000    
 H   -3.340800      -1.752700       1.022300    
 H   -2.944000     -0.3221000       1.950200    
 H  -0.4581000     -0.8363000       1.593300    
 H  -0.8826000      -2.260400      0.5982000    
 H    2.333600     -0.5490000      -1.604100    
 H    4.533500       3.244900      0.2783000    
 H    5.755400       3.241400      -1.013600    
 H    6.205300       3.615000      0.6648000    
 H    7.469400      0.2198000      0.3556000    
 H    7.876400       1.890000      0.6665000    
 H    7.508000       1.379900     -0.9908000    
 H   -4.008700       1.853800       1.460400    
 H   -4.981600      -1.673500     -0.8194000    
 H   -6.013300       2.980900      0.5589000    
 H   -6.983100     -0.5347000      -1.713500    
 H   -7.503700       1.792100      -1.028500    


%chk=000058452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058452

0 1
O 0.392032 -1.021172 -0.287438
O 1.748727 -2.410814 1.059544
N 5.823919 1.733489 0.159391
N 2.605858 -1.205676 -0.771822
C 4.887258 -0.614330 0.156626
C 5.025945 0.730969 -0.584091
C 4.005097 -1.630681 -0.607616
C -1.963878 -0.575262 0.049388
C -3.257175 -0.905340 0.847135
C -0.777216 -1.403217 0.544933
C -4.443169 -0.071684 0.383250
C 5.638385 3.097480 -0.376920
C 7.254464 1.382465 0.265950
C 1.615023 -1.620002 0.089474
C -4.686175 1.212223 0.936674
C -5.307779 -0.539564 -0.639797
C -5.760565 2.008701 0.480607
C -6.383941 0.252871 -1.100075
C -6.613864 1.531488 -0.541453
H 4.462501 -0.432231 1.160454
H 5.880791 -1.081873 0.300261
H 5.448826 0.545110 -1.610626
H 4.014364 1.160003 -0.724532
H 4.431725 -1.823653 -1.611595
H 3.988304 -2.586423 -0.056201
H -1.729291 0.501002 0.148658
H -2.129692 -0.771060 -1.026467
H -3.483588 -1.983806 0.734324
H -3.067849 -0.728077 1.924363
H -0.543828 -1.201215 1.607314
H -0.955331 -2.489982 0.434823
H 2.341713 -0.558833 -1.514824
H 4.565995 3.362205 -0.359926
H 6.009163 3.219975 -1.427704
H 6.177842 3.822872 0.258313
H 7.379273 0.420534 0.790690
H 7.777998 2.155017 0.856781
H 7.762537 1.305185 -0.730669
H -4.032182 1.586976 1.734470
H -5.139619 -1.533393 -1.074044
H -5.935090 2.996147 0.923232
H -7.043756 -0.127112 -1.888554
H -7.449551 2.145991 -0.894801


