%chk=000047480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047480

0 1
 O   -7.130200     -0.1626000       1.099300    
 O   -5.439200      -1.470000      0.3338000    
 N   0.2533000      0.2343000      -1.296300    
 N    3.855700     -0.3937000      0.7525000    
 C    1.474800      2.1199999E-02 -0.6014000    
 C    1.894100      -1.283000     -0.3200000    
 C    2.247200       1.117800     -0.2053000    
 C    3.107900      -1.446300      0.3687000    
 C    3.447300      0.8605000      0.4789000    
 C   -1.064900      0.4080000     -0.8545000    
 C    1.138000      -2.403300     -0.7064000    
 C    1.850200       2.439100     -0.4750000    
 C    3.530700      -2.742400      0.6518000    
 C    4.220700       1.948100      0.8759000    
 C   -3.699200      0.7525000      2.7300000E-02
 C   -1.360900      0.3860000      0.5133000    
 C   -2.099000      0.6034000      -1.777000    
 C    1.582900      -3.688500     -0.4113000    
 C    2.641500       3.509000     -6.7199998E-02
 C   -2.673700      0.5577000      0.9527000    
 C   -3.411800      0.7749000      -1.337500    
 C    2.781800      -3.858000      0.2692000    
 C    3.829100       3.262400      0.6097000    
 C   -5.102700      0.9363000      0.4969000    
 C   -5.873400     -0.3632000      0.6221000    
 H   0.3761000      0.2667000      -2.304100    
 H   0.1983000      -2.306900      -1.244100    
 H   0.9300000       2.667400      -1.006400    
 H    4.466900      -2.901500       1.184000    
 H    5.155700       1.781000       1.407800    
 H  -0.5825000      0.2355000       1.256800    
 H   -1.890600      0.6228000      -2.843900    
 H   0.9978000      -4.552200     -0.7117000    
 H    2.333300       4.528500     -0.2776000    
 H   -2.884800      0.5358000       2.018600    
 H   -4.201900      0.9234000      -2.068800    
 H    3.138200      -4.856600      0.5042000    
 H    4.454100       4.090000      0.9321000    
 H   -5.646000       1.589500     -0.1967000    
 H   -5.104200       1.430400       1.476000    
 H   -7.628800      -1.003600       1.179500    


%chk=000047480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047480

0 1
O -6.218490 -1.888917 0.661200
O -6.482092 -0.597695 -1.251404
N 0.190459 0.853097 -1.064871
N 3.941416 -0.438570 0.618812
C 1.393422 0.406872 -0.472004
C 1.597378 -0.956802 -0.077207
C 2.477887 1.337366 -0.336784
C 2.892110 -1.313493 0.498921
C 3.747682 0.848416 0.189608
C -1.141039 0.681915 -0.605559
C 0.627099 -2.000462 -0.276997
C 2.366384 2.732268 -0.672402
C 3.112483 -2.669764 0.930418
C 4.857005 1.760210 0.289679
C -3.858959 0.465027 0.251726
C -1.447015 0.247639 0.711927
C -2.209725 1.007540 -1.486930
C 0.886445 -3.306451 0.130641
C 3.459851 3.588244 -0.554587
C -2.791152 0.135982 1.121617
C -3.546754 0.904847 -1.060190
C 2.133631 -3.642753 0.759856
C 4.723138 3.094137 -0.082635
C -5.312172 0.351178 0.715665
C -6.060110 -0.708875 -0.079304
H 0.300247 1.531724 -1.821221
H -0.323114 -1.765324 -0.763089
H 1.400612 3.142327 -0.989836
H 4.085935 -2.893758 1.377177
H 5.797608 1.354930 0.674969
H -0.641511 0.010132 1.412706
H -1.987665 1.332589 -2.511061
H 0.136960 -4.087739 -0.036221
H 3.354172 4.649111 -0.806438
H -3.009314 -0.204291 2.140812
H -4.357690 1.147601 -1.756227
H 2.315259 -4.672596 1.086473
H 5.574638 3.778479 -0.000794
H -5.840295 1.308805 0.555098
H -5.356132 0.098768 1.786214
H -6.676791 -2.571312 0.098142


