%chk=000155809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155809

0 1
 O   0.9950000       2.869100     -0.7239000    
 N   0.6076000      0.9573000      8.9800000E-02
 N   0.4652000       2.262900      0.2150000    
 N   -5.200700      -1.376500      5.6100000E-02
 N    4.219900      -2.352700     -0.5445000    
 C   -1.688900      0.1767000     -0.2696000    
 C  -0.4987000      0.2199000      0.6886000    
 C    1.885900      0.4485000      0.6140000    
 C   -2.864900     -0.5874000      0.3475000    
 C    2.429900     -0.7084000     -0.2270000    
 C   -4.099400     -0.6420000     -0.5548000    
 C    3.749200      -1.267200      0.3089000    
 H   -1.395400     -0.3058000      -1.210600    
 H   -2.020800       1.192700     -0.5171000    
 H  -0.2143000     -0.8233000      0.8826000    
 H  -0.7922000      0.6371000       1.662600    
 H    2.653400       1.236800      0.5886000    
 H    1.802600      0.1592000       1.671000    
 H   -2.543200      -1.610300      0.5822000    
 H   -3.137100     -0.1159000       1.300600    
 H    2.572400     -0.3625000      -1.259700    
 H    1.691000      -1.519100     -0.2673000    
 H   -4.437900      0.3741000     -0.7846000    
 H   -3.843100      -1.118700      -1.507200    
 H    3.610300      -1.645000       1.327400    
 H    4.507600     -0.4776000      0.3448000    
 H   -5.444300     -0.9452000      0.9472000    
 H   -4.895500      -2.323200      0.2800000    
 H    5.123000      -2.681200     -0.2053000    
 H    4.379500      -2.002800      -1.488500    


%chk=000155809-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155809

0 1
O 2.179418 2.754835 0.172532
N 0.677047 1.204358 0.801546
N 0.933852 2.507255 0.410359
N -4.957507 -1.670408 -0.248373
N 3.801038 -1.991475 -1.453315
C -1.369932 -0.131465 0.130109
C -0.735868 0.899565 1.091545
C 1.763286 0.212451 0.960241
C -2.866414 -0.356252 0.445842
C 2.208753 -0.434464 -0.373825
C -3.527385 -1.408353 -0.489377
C 3.407194 -1.384283 -0.167159
H -0.831952 -1.098239 0.201078
H -1.253616 0.225517 -0.912008
H -0.821817 0.533346 2.135068
H -1.271944 1.863243 1.023741
H 2.625285 0.747190 1.405477
H 1.412939 -0.557102 1.672351
H -2.984930 -0.689158 1.498825
H -3.416843 0.603159 0.353760
H 2.492831 0.370430 -1.078178
H 1.381269 -1.004614 -0.832743
H -3.409954 -1.083640 -1.541613
H -2.981454 -2.368069 -0.399377
H 3.112315 -2.202816 0.519062
H 4.227565 -0.817563 0.339540
H -5.574960 -0.878732 -0.451248
H -5.164849 -2.094908 0.660520
H 4.459189 -2.772098 -1.372242
H 4.103543 -1.308210 -2.155339


