%chk=000052654.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052654

0 1
 O   -5.091200       1.367400     -0.3593000    
 N    1.250700      -1.065200      0.1565000    
 N   -3.043200     -0.4595000      0.3957000    
 C    3.522100     -0.6175000     -0.4598000    
 C    2.578600      0.4259000      -1.062600    
 C    2.635100      -1.410200      0.5106000    
 C    1.276200     -0.3677000      -1.132700    
 C    4.804600     -5.4800000E-02  0.1468000    
 C    2.439200       1.695800     -0.2077000    
 C    4.584600       1.195900      0.9906000    
 C    3.792700       2.246900      0.2217000    
 C   0.3538000      -2.209000      0.1638000    
 C   -1.082000      -1.813100     -0.1875000    
 C   -1.669400     -0.7808000      0.7766000    
 C   -3.086900      0.1333000     -0.9484000    
 C   -3.654300      0.4557000       1.369700    
 C   -4.528200      0.4717000      -1.318700    
 C   -5.082300      0.7853000      0.9447000    
 H    3.813600      -1.310600      -1.263100    
 H    2.918200      0.7093000      -2.066200    
 H    2.849300      -2.481000      0.4066000    
 H    2.814900      -1.135200       1.555000    
 H   0.4153000      0.2940000      -1.271900    
 H    1.320900      -1.073300      -1.972700    
 H    5.489200      0.2024000     -0.6722000    
 H    5.310200     -0.8224000      0.7442000    
 H    1.839100       1.503100      0.6906000    
 H    1.895500       2.458100     -0.7787000    
 H    5.554300       1.611100       1.287900    
 H    4.054500      0.9355000       1.914400    
 H    3.645900       3.130900      0.8525000    
 H    4.359200       2.570900     -0.6596000    
 H   0.6918000      -2.979400     -0.5414000    
 H   0.3560000      -2.666400       1.161200    
 H   -1.700000      -2.720600     -0.1583000    
 H   -1.086600      -1.481200      -1.228300    
 H   -1.055300      0.1276000      0.8036000    
 H   -1.659300      -1.207800       1.787400    
 H   -2.739200     -0.5528000      -1.723800    
 H   -2.474000       1.043000     -0.9878000    
 H   -3.071200       1.383400       1.438100    
 H   -3.677300     -5.7000001E-03   2.363500    
 H   -4.556300      0.9695000      -2.293400    
 H   -5.151200     -0.4285000      -1.388300    
 H   -5.722900     -0.1051000      0.9526000    
 H   -5.518500       1.513000       1.636600    


%chk=000052654-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052654

0 1
O -5.424715 1.300534 -0.117410
N 1.332189 -1.130745 -0.044465
N -3.059481 -0.345273 0.332286
C 3.701716 -0.675380 -0.371900
C 2.812498 0.343919 -1.156062
C 2.679513 -1.462619 0.507572
C 1.522435 -0.481722 -1.367255
C 4.884866 -0.041324 0.398387
C 2.523459 1.643386 -0.360494
C 4.481333 1.219687 1.197859
C 3.794370 2.251517 0.274386
C 0.338602 -2.214794 0.031738
C -1.086965 -1.766750 -0.356319
C -1.609170 -0.614022 0.523951
C -3.380209 0.200559 -1.012456
C -3.585479 0.568563 1.380879
C -4.898305 0.398898 -1.155501
C -5.101321 0.754382 1.211990
H 4.119025 -1.385791 -1.114457
H 3.287700 0.602073 -2.122722
H 2.889632 -2.556559 0.451754
H 2.738220 -1.171108 1.575652
H 0.653269 0.153177 -1.624725
H 1.660330 -1.224736 -2.195591
H 5.670722 0.245293 -0.330921
H 5.341310 -0.796408 1.069842
H 1.797112 1.404484 0.441533
H 2.037712 2.380287 -1.030668
H 5.377983 1.659549 1.676258
H 3.783965 0.945772 2.015992
H 3.531787 3.164646 0.843241
H 4.505209 2.561827 -0.520469
H 0.628849 -3.085416 -0.616895
H 0.327091 -2.589142 1.075077
H -1.771987 -2.629853 -0.249565
H -1.098350 -1.479556 -1.425413
H -0.989992 0.300978 0.349248
H -1.463777 -0.893683 1.586060
H -3.040083 -0.507742 -1.789496
H -2.863228 1.179918 -1.187317
H -3.089404 1.572191 1.338032
H -3.377087 0.128874 2.375165
H -5.148161 0.878916 -2.116417
H -5.406601 -0.587360 -1.085754
H -5.612490 -0.223306 1.348060
H -5.497895 1.485757 1.935810


