%chk=000044731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044731

0 1
 O    2.422300      -1.989000      -1.340400    
 N   -2.895200       1.881000     -0.1832000    
 N   0.3232000      -2.450000      -2.162300    
 C   0.6214000     -0.4967000     -0.7493000    
 C   0.1068000      0.4078000      -1.901200    
 C   -2.119200      0.8125000     -0.8235000    
 C  -0.8576000       1.469500      -1.392200    
 C  -0.5503000     -0.9876000      0.1196000    
 C   -1.821800     -0.3681000      8.7899998E-02
 C    1.708500      0.2622000      4.3000001E-02
 C    1.228100      -1.715800      -1.432600    
 C  -0.3467000      -2.075900      0.9979000    
 C   -2.859000     -0.9106000      0.8741000    
 C    1.560000      0.4389000       1.412200    
 C    2.821200      0.7579000     -0.6236000    
 C   -3.133300       2.969600      -1.127700    
 C   -2.198200       2.371500       1.003100    
 C   -1.379300      -2.573400       1.790000    
 C   -2.638900      -1.996700       1.720100    
 C    2.541900       1.124000       2.127900    
 C    3.803100       1.443000      9.2200004E-02
 C    3.663300       1.626000       1.468000    
 H  -0.4291000     -0.1635000      -2.670600    
 H   0.9230000      0.8944000      -2.447500    
 H   -2.703100      0.3993000      -1.658500    
 H  -0.3044000       2.092200     -0.6846000    
 H   -1.094300       2.102400      -2.256300    
 H   0.6281000      -2.554200       1.068100    
 H   -3.858300     -0.4821000      0.8347000    
 H   0.7011000      0.1036000       1.979900    
 H    2.964200      0.6230000      -1.691500    
 H   -2.264900       3.610600      -1.316500    
 H   -3.913300       3.624400     -0.7200000    
 H   -3.524700       2.598900      -2.082200    
 H   -2.878000       3.040800       1.546300    
 H   -1.300200       2.963700      0.8033000    
 H   -1.943800       1.590000       1.725100    
 H   -1.200000      -3.415100       2.452100    
 H   -3.452200      -2.388300       2.323800    
 H   0.6217000      -3.278200      -2.666800    
 H  -0.6669000      -2.233100      -2.211000    
 H    2.430400       1.273400       3.198000    
 H    4.677600       1.832300     -0.4210000    
 H    4.427200       2.160500       2.025100    


%chk=000044731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044731

0 1
O 2.272286 -1.565156 -2.463228
N -2.998363 1.898091 -0.190782
N 0.388989 -2.761980 -1.909350
C 0.694789 -0.491996 -0.855843
C 0.230506 0.586197 -1.910526
C -2.013544 0.985513 -0.837082
C -0.677514 1.646003 -1.270418
C -0.490713 -0.931938 0.025967
C -1.746360 -0.257562 0.030385
C 1.833652 0.125522 0.010208
C 1.213995 -1.662859 -1.771028
C -0.312625 -2.043145 0.899290
C -2.793850 -0.748094 0.854299
C 1.609951 0.490195 1.364731
C 3.099061 0.435104 -0.562408
C -3.660983 2.818496 -1.131990
C -2.518410 2.581831 1.027007
C -1.355203 -2.517239 1.718870
C -2.613995 -1.870148 1.686202
C 2.616049 1.126873 2.127279
C 4.105167 1.064499 0.201994
C 3.871930 1.416368 1.551324
H -0.321927 0.080333 -2.729173
H 1.130307 1.037899 -2.360406
H -2.513442 0.632770 -1.766661
H -0.168621 2.100402 -0.399632
H -0.879640 2.454874 -1.997565
H 0.668510 -2.531198 0.937531
H -3.742668 -0.200707 0.835157
H 0.646957 0.273559 1.836742
H 3.295736 0.151013 -1.599292
H -2.989992 3.610510 -1.548442
H -4.494896 3.329799 -0.616594
H -4.082754 2.248197 -1.979609
H -3.377613 3.046307 1.545322
H -1.767775 3.384510 0.829306
H -2.063504 1.847381 1.713730
H -1.187112 -3.376097 2.378061
H -3.438084 -2.229547 2.312750
H 0.671268 -3.482571 -2.573812
H -0.441310 -2.891987 -1.333194
H 2.413630 1.395718 3.170588
H 5.074972 1.280674 -0.261014
H 4.653543 1.908689 2.141207


