%chk=000138871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138871

0 1
 O  -0.4585000       1.107400      -1.872800    
 N   0.2386000       1.574300      0.2858000    
 C   0.3071000      -1.984600      0.6756000    
 C    1.734600      -2.090500      0.1319000    
 C  -0.7554000      -1.990600     -0.4275000    
 C    2.238400     -0.8353000     -0.5939000    
 C   -2.161400      -1.632600      6.2100001E-02
 C    2.447600      0.3816000      0.3227000    
 C   -2.332800     -0.2547000      0.7176000    
 C    1.655500       1.627500     -9.9299997E-02
 C   -2.140900      0.9506000     -0.2076000    
 C  -0.7152000       1.218500     -0.6684000    
 C  -5.7599999E-02   1.928400       1.673900    
 H   0.2301000      -1.096300       1.304100    
 H   0.1206000      -2.840900       1.335900    
 H    2.413500      -2.312500      0.9647000    
 H    1.795800      -2.945000     -0.5533000    
 H  -0.7922000      -2.997700     -0.8630000    
 H  -0.4791000      -1.333200      -1.252400    
 H    3.211600      -1.089600      -1.034700    
 H    1.591600     -0.5948000      -1.442100    
 H   -2.477600      -2.394100      0.7865000    
 H   -2.855100      -1.711000     -0.7843000    
 H    2.250400      0.1330000       1.370900    
 H    3.512000      0.6468000      0.2727000    
 H   -1.699800     -0.1847000       1.605000    
 H   -3.363700     -0.2079000       1.093400    
 H    2.092700       2.515800      0.3720000    
 H    1.746200       1.774100      -1.181300    
 H   -2.522900       1.858500      0.2721000    
 H   -2.759800      0.8127000      -1.103700    
 H   0.3286000       1.146100       2.332100    
 H   -1.123800       2.057700       1.857000    
 H   0.4378000       2.875200       1.910300    


%chk=000138871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138871

0 1
O -0.395515 1.066800 -1.889206
N 0.244948 1.552954 0.292529
C 0.307347 -1.965094 0.695855
C 1.757333 -2.100962 0.164472
C -0.761893 -1.991294 -0.423827
C 2.275826 -0.857487 -0.608372
C -2.202084 -1.648019 0.040604
C 2.517994 0.409197 0.275530
C -2.405651 -0.262100 0.709798
C 1.669612 1.649771 -0.115343
C -2.160962 0.979831 -0.199874
C -0.713467 1.208837 -0.661597
C -0.039016 1.874989 1.698769
H 0.230799 -1.020830 1.269562
H 0.099692 -2.782874 1.416759
H 2.443425 -2.305656 1.012627
H 1.812837 -2.986986 -0.501471
H -0.776952 -3.007303 -0.870078
H -0.471862 -1.306066 -1.239076
H 3.225914 -1.133638 -1.106012
H 1.571244 -0.604237 -1.421677
H -2.541483 -2.420188 0.762782
H -2.879696 -1.720230 -0.834681
H 2.344084 0.167314 1.344364
H 3.582093 0.710916 0.207009
H -1.783018 -0.199296 1.621955
H -3.457234 -0.206412 1.057096
H 2.093596 2.557473 0.359752
H 1.685591 1.787685 -1.209770
H -2.544748 1.882717 0.316307
H -2.747572 0.870108 -1.128633
H 0.359116 1.103513 2.388075
H -1.119214 1.968159 1.876962
H 0.435818 2.840608 1.960810


