%chk=000052757.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052757

0 1
 O    1.105200      -1.039800       1.548300    
 N    2.866400     -0.1379000     -0.4624000    
 N    4.941400      0.1747000      0.2010000    
 C  -0.7787000      -1.006800      0.1426000    
 C   -1.568500      0.1539000      0.1049000    
 C   -2.957900      3.8199998E-02 -0.1393000    
 C    1.625200     -0.8391000     -0.7956000    
 C   0.6602000     -0.9678000      0.3879000    
 C   -1.350500      -2.263600     -5.7700001E-02
 C   -1.010100       1.426900      0.3042000    
 C   -3.516300      -1.234900     -0.3384000    
 C   -3.747700       1.198900     -0.1768000    
 C   -2.716600      -2.377300     -0.2977000    
 C   -1.809800       2.569400      0.2633000    
 C   -3.176000       2.455700      2.3300000E-02
 C    3.067200       1.197300     -0.5598000    
 C    4.001100     -0.7203000     -6.0999999E-03
 C    4.365400       1.372300     -0.1417000    
 H    1.151400     -0.2862000      -1.613700    
 H    1.891700      -1.840200      -1.149900    
 H  -0.7402000      -3.163000     -2.9100001E-02
 H   5.0600000E-02   1.560700      0.4996000    
 H   -4.581800      -1.347700     -0.5276000    
 H   -4.817700       1.133600     -0.3627000    
 H   -3.161200      -3.356000     -0.4535000    
 H   -1.365700       3.548200      0.4202000    
 H   -3.798000       3.345600     -8.1000002E-03
 H    2.311500       1.890500     -0.9020000    
 H    4.097400      -1.784700      0.1600000    
 H    4.914700       2.299800     -7.0500001E-02


%chk=000052757-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052757

0 1
O 1.356001 -2.164969 0.807031
N 2.766927 0.053888 -0.536957
N 4.867925 0.276930 0.288651
C -0.752935 -1.216938 0.110383
C -1.472721 0.038443 0.030617
C -2.919585 -0.002063 -0.076362
C 1.529038 -0.568270 -1.019773
C 0.741566 -1.334393 0.082796
C -1.463402 -2.429020 0.177629
C -0.839068 1.322918 0.129639
C -3.596461 -1.265924 -0.063766
C -3.657252 1.225141 -0.157157
C -2.884352 -2.458053 0.083407
C -1.585754 2.502590 0.060655
C -3.004976 2.457886 -0.102079
C 3.004040 1.433858 -0.407970
C 3.919443 -0.598864 -0.098325
C 4.301216 1.548792 0.095010
H 0.904929 0.192695 -1.510582
H 1.779525 -1.332937 -1.781516
H -0.899094 -3.362001 0.277784
H 0.237904 1.390791 0.312936
H -4.689121 -1.281662 -0.153170
H -4.748959 1.179322 -0.246080
H -3.409305 -3.418087 0.113022
H -1.082053 3.471151 0.148930
H -3.576154 3.390325 -0.159369
H 2.269848 2.177722 -0.708208
H 3.998896 -1.682103 -0.065941
H 4.856634 2.453233 0.331465


