%chk=000135676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135676

0 1
 O   -1.105700      -1.926400       1.879700    
 N   -4.856300      3.7000000E-03  2.3200000E-02
 N   -1.740500      -2.002800     -0.3491000    
 N    1.006700     -5.7000001E-03  0.1246000    
 C   -3.432700     -0.2420000     -0.1683000    
 C   -3.144300      -1.735600     -0.1329000    
 C    1.445100      -1.275500      3.3500001E-02
 C   0.5809000      -2.333400      0.3023000    
 C    2.773400      -1.580000     -0.3311000    
 C  -0.8041000      -2.081100      0.6854000    
 C    1.878600      0.9929000     -0.1450000    
 C    1.002000      -3.662800      0.2178000    
 C    3.643700     -0.5156000     -0.6017000    
 C    3.197100      -2.917100     -0.4161000    
 C    3.194900      0.7938000     -0.5089000    
 C    2.311600      -3.955400     -0.1416000    
 C    1.333000       2.324200     -2.6600000E-02
 C   -5.640900     -0.6755000      -1.009800    
 C   -5.138600       1.440400      1.1300000E-02
 C    2.157600       3.389300      0.3420000    
 C  -2.1199999E-02   2.551500     -0.2805000    
 C    1.630500       4.675600      0.4562000    
 C  -0.5484000       3.837900     -0.1664000    
 C   0.2775000       4.899900      0.2020000    
 H   -2.860600      0.2478000      0.6304000    
 H   -3.076000      0.1841000      -1.116100    
 H   -3.649700      -2.282400     -0.9334000    
 H   -3.446800      -2.170100      0.8268000    
 H   -1.422800      -2.123800      -1.306700    
 H   0.3140000      -4.476900      0.4317000    
 H    4.675200     -0.7022000     -0.8920000    
 H    4.220300      -3.157200     -0.6966000    
 H    3.880700       1.598800     -0.7482000    
 H    2.642800      -4.987200     -0.2082000    
 H   -6.689700     -0.3570000     -0.9620000    
 H   -5.277200     -0.4626000      -2.021700    
 H   -5.672100      -1.758200     -0.8539000    
 H   -6.198500       1.627300      0.2168000    
 H   -4.573200       1.950000      0.7998000    
 H   -4.885100       1.903600     -0.9492000    
 H    3.210700       3.256400      0.5751000    
 H  -0.6906000       1.748600     -0.5802000    
 H    2.271700       5.501900      0.7490000    
 H   -1.601600       4.012900     -0.3661000    
 H  -0.1333000       5.901300      0.2918000    


%chk=000135676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135676

0 1
O -1.703394 -3.416407 -0.042912
N -5.041847 -0.236902 0.049584
N -1.409772 -1.170231 -0.611210
N 1.042339 -0.110956 -0.295270
C -3.633028 -0.561668 0.360294
C -2.825904 -0.935351 -0.911128
C 1.485668 -1.391123 0.008678
C 0.546818 -2.491064 0.068604
C 2.890008 -1.646227 0.268546
C -0.950309 -2.395093 -0.192627
C 1.909436 0.927364 -0.350197
C 1.030480 -3.768238 0.391741
C 3.789474 -0.533457 0.197833
C 3.332207 -2.967243 0.588202
C 3.314679 0.738357 -0.106760
C 2.409728 -4.014001 0.650983
C 1.346828 2.273637 -0.653353
C -5.214433 1.109585 -0.528132
C -5.953184 -0.470672 1.187464
C 2.141229 3.289837 -1.251112
C -0.011955 2.562913 -0.348729
C 1.590898 4.556771 -1.539895
C -0.559543 3.830341 -0.631969
C 0.239203 4.833770 -1.230503
H -3.610433 -1.436607 1.034124
H -3.114557 0.280186 0.891746
H -2.890299 -0.129684 -1.664598
H -3.264215 -1.852089 -1.340212
H -0.689452 -0.415711 -0.648714
H 0.292342 -4.576563 0.436160
H 4.854513 -0.696442 0.399893
H 4.397126 -3.142138 0.782745
H 3.992686 1.595313 -0.126706
H 2.739921 -5.028581 0.896907
H -6.269542 1.256010 -0.821265
H -4.935604 1.930735 0.183812
H -4.597175 1.222902 -1.436144
H -6.998422 -0.312706 0.864079
H -5.857244 -1.515384 1.531016
H -5.760069 0.202437 2.062163
H 3.182644 3.085948 -1.523577
H -0.621697 1.791061 0.132483
H 2.213425 5.324843 -2.011800
H -1.605348 4.039262 -0.380729
H -0.186124 5.818665 -1.452412


