%chk=000040369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040369

0 1
 O   -1.762700      0.4375000     -0.9064000    
 O   -2.542600      0.8138000       1.343100    
 N   0.9198000      0.6681000      2.8400000E-02
 N    4.538400     -0.2258000      0.1131000    
 C   -1.482300       1.039300      0.3815000    
 C  -0.1949000      0.4257000      0.9306000    
 C    2.151900      9.3099996E-02  0.5533000    
 C    3.301600      0.3342000     -0.4205000    
 C   -1.321900       2.546200      0.1850000    
 C   -2.980400     -0.1288000     -0.6797000    
 C   -3.425500      8.5900001E-02  0.6046000    
 C    5.655100      3.2600001E-02 -0.7972000    
 C    4.394500      -1.663600      0.3454000    
 C   -3.723100     -0.8446000      -1.595600    
 C   -4.638100     -0.4033000       1.044200    
 C    5.822500       1.521000      -1.052300    
 C    5.653600      -2.248900      0.9623000    
 C   -4.955500      -1.350900      -1.176100    
 C   -5.410400      -1.131500      0.1362000    
 H  -0.3418000     -0.6546000       1.061400    
 H   1.1400000E-02  0.8391000       1.926200    
 H    1.955000     -0.9728000      0.6928000    
 H    2.389900      0.5353000       1.528700    
 H    3.064000     -9.3599997E-02  -1.404000    
 H    3.377700       1.420300     -0.5424000    
 H   0.7134000      0.2723000     -0.8884000    
 H  -0.5883000       2.790600     -0.5900000    
 H   -1.043000       3.042600       1.120600    
 H   -2.273400       2.987600     -0.1355000    
 H    5.535500     -0.4932000      -1.752900    
 H    6.599100     -0.2989000     -0.3526000    
 H    4.139200      -2.207600     -0.5725000    
 H    3.619600      -1.875200       1.086000    
 H   -3.368700      -1.011500      -2.606300    
 H   -4.985000     -0.2320000       2.056800    
 H    6.793300       1.702900      -1.527500    
 H    5.803700       2.099200     -0.1220000    
 H    5.065500       1.917100      -1.736200    
 H    5.444800      -3.257600       1.337000    
 H    6.005500      -1.652800       1.811400    
 H    6.466800      -2.350300      0.2370000    
 H   -5.569600      -1.919800      -1.868800    
 H   -6.371800      -1.533100      0.4450000    


%chk=000040369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040369

0 1
O -1.912560 0.439241 -1.048786
O -2.626645 1.268209 1.096308
N 0.849653 0.543037 -0.169198
N 4.528878 -0.402257 -0.127187
C -1.482118 1.310369 0.118697
C -0.269084 0.632521 0.781178
C 2.128089 0.081401 0.412212
C 3.244560 0.125251 -0.650870
C -1.272851 2.731567 -0.368739
C -3.091752 -0.218588 -0.628563
C -3.510602 0.267493 0.630861
C 5.719820 0.280799 -0.700383
C 4.613277 -1.886189 -0.208280
C -3.814318 -1.193516 -1.321388
C -4.671268 -0.198817 1.253627
C 5.938010 1.691026 -0.119857
C 5.565491 -2.494857 0.839050
C -4.996218 -1.684235 -0.696734
C -5.415344 -1.197441 0.562937
H -0.609999 -0.352740 1.183822
H 0.041012 1.249193 1.645743
H 2.063251 -0.946805 0.847306
H 2.407679 0.757533 1.241441
H 2.911669 -0.431931 -1.565036
H 3.376550 1.176556 -0.959827
H 0.579066 -0.002453 -0.999986
H -0.383841 2.764575 -1.018946
H -1.104676 3.396551 0.495760
H -2.159686 3.079528 -0.922006
H 5.662299 0.335257 -1.817806
H 6.606526 -0.335202 -0.464056
H 4.913788 -2.221872 -1.234307
H 3.598324 -2.289803 -0.034116
H -3.485457 -1.557397 -2.298510
H -4.988726 0.188531 2.225359
H 6.846872 2.150949 -0.551397
H 6.054067 1.634566 0.976449
H 5.087884 2.362721 -0.337755
H 5.566302 -3.598654 0.766182
H 5.244562 -2.205103 1.854721
H 6.606561 -2.150915 0.701053
H -5.587754 -2.452185 -1.205872
H -6.328488 -1.591913 1.020595


