%chk=000066271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066271

0 1
 O   -5.200000      0.5575000      0.4847000    
 O    1.705400      -1.868700      0.1840000    
 N    1.230000      0.3959000      9.5799997E-02
 N  -0.1007000      0.1805000      0.2008000    
 N    6.224100      0.1645000     -0.1814000    
 C   -4.364900     -0.2842000     -0.1576000    
 C  -0.8879000       1.217400      0.2005000    
 C    3.524500     -0.3977000     -1.2000001E-03
 C   -2.952600     -4.4599999E-02 -0.2057000    
 C   -2.364900       1.033100      0.3338000    
 C    2.073000     -0.7000000      9.5399998E-02
 C   -5.032200      -1.331900     -0.7207000    
 C  -0.4185000       2.653000      0.1027000    
 C    4.427000      -1.286400      0.5331000    
 C    3.923400      0.7620000     -0.6224000    
 C   -6.395900      -1.125800     -0.4028000    
 C   -6.445600      3.6300000E-02  0.3311000    
 C    5.768400     -0.9589000      0.4169000    
 C    5.287300      0.9979000     -0.6869000    
 H   -2.352700     -0.7857000     -0.7285000    
 H   -2.921900       1.813700      0.8403000    
 H   -4.610700      -2.148300      -1.290400    
 H   0.2105000       2.894200      0.9645000    
 H   0.1493000       2.794200     -0.8215000    
 H   -1.264000       3.346800      8.9299999E-02
 H    4.129900      -2.202400       1.030200    
 H    3.247600       1.472100      -1.082700    
 H    1.559100       1.352900      7.6700002E-02
 H   -7.237300      -1.746600     -0.6747000    
 H   -7.246400      0.5959000      0.7922000    
 H    6.536500      -1.612800      0.8168000    
 H    5.675000       1.889200      -1.169300    


%chk=000066271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066271

0 1
O -5.286219 0.710604 0.014954
O 1.698075 -1.919508 -0.106570
N 1.216376 0.381227 0.011537
N -0.154179 0.192417 -0.016590
N 6.358411 0.186687 -0.120740
C -4.398965 -0.392311 -0.128973
C -0.929839 1.266170 0.131062
C 3.549137 -0.348609 -0.097348
C -2.982638 -0.162675 -0.084461
C -2.377867 1.063301 0.090311
C 2.084491 -0.720223 -0.075286
C -5.159070 -1.555394 -0.296487
C -0.395825 2.679145 0.333081
C 4.483165 -1.320917 0.339116
C 4.054802 0.891226 -0.568526
C -6.549215 -1.179567 -0.257722
C -6.588679 0.194632 -0.068329
C 5.859252 -1.010811 0.316287
C 5.451725 1.108465 -0.560626
H -2.344504 -1.046788 -0.200316
H -3.004216 1.954839 0.208649
H -4.754975 -2.557191 -0.430484
H 0.230301 2.755889 1.244883
H 0.217164 3.013297 -0.528591
H -1.223463 3.395984 0.443512
H 4.122018 -2.296399 0.677633
H 3.399466 1.668178 -0.979085
H 1.623448 1.314929 0.154937
H -7.409003 -1.838895 -0.356640
H -7.389933 0.922645 0.024854
H 6.603571 -1.739164 0.656069
H 5.871987 2.051915 -0.927112


