%chk=000046722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046722

1 1
 O   0.8978000      -1.133900      0.6129000    
 O    2.383800      0.7196000     -0.7765000    
 O   0.5004000      -2.268500      -1.377400    
 O    2.704600       1.922000       1.187600    
 N   -4.023000      0.2763000      0.2511000    
 N    1.599400      -3.302000      0.3849000    
 N    4.511100       1.077400      2.0999999E-03
 C   -3.293300     -0.4319000       1.394200    
 C   -3.199700       1.499000     -0.1869000    
 C   -1.906000     -0.9033000      0.9653000    
 C   -1.723900       1.254000     -0.3539000    
 C   -1.103300      0.1393000      0.2328000    
 C   -5.384100      0.7542000      0.7627000    
 C   -4.273200     -0.6623000     -0.9287000    
 C   0.2792000     -3.9900001E-02  7.8199998E-02
 C  -0.9479000       2.188300      -1.054500    
 C    1.040300      0.8902000     -0.6290000    
 C   0.4273000       2.004900      -1.193600    
 C   0.9600000      -2.251000     -0.2394000    
 C    3.170000       1.301600      0.2361000    
 C    1.817000      -4.587400     -0.2372000    
 C    5.563600       1.553600      0.8692000    
 H   -3.912800      -1.274800       1.721100    
 H   -3.217100      0.2892000       2.217800    
 H   -3.333100       2.264100      0.5882000    
 H   -3.646700       1.861000      -1.120600    
 H   -1.998700      -1.788900      0.3252000    
 H   -1.370600      -1.216500       1.870000    
 H   -5.881700       1.302700     -4.2500000E-02
 H   -5.970700     -0.1228000       1.052100    
 H   -5.223400       1.406600       1.626100    
 H   -3.319500     -0.9415000      -1.382300    
 H   -4.796800      -1.548000     -0.5576000    
 H   -4.889500     -0.1347000      -1.663000    
 H   -1.413700       3.065900      -1.495900    
 H    1.013200       2.736200      -1.743700    
 H    1.934700      -3.164800       1.333400    
 H    4.772300      0.5477000     -0.8238000    
 H    1.318500      -5.347900      0.3686000    
 H    2.892000      -4.782600     -0.2493000    
 H    1.424400      -4.608800      -1.256400    
 H    6.226000       2.193700      0.2816000    
 H    6.124500      0.6884000       1.230900    
 H    5.160100       2.114400       1.715400    


%chk=000046722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046722

1 1
O 1.002056 -0.865401 0.566210
O 2.339436 1.153711 -0.862396
O -0.100589 -2.390940 -0.900631
O 2.816919 1.345784 1.469310
N -4.032179 0.219980 0.193113
N 1.792657 -2.986109 0.376391
N 4.485034 0.912364 -0.145088
C -3.299460 -0.397527 1.407531
C -3.339672 1.559697 -0.124103
C -1.854039 -0.765975 1.064140
C -1.839122 1.407591 -0.301863
C -1.136452 0.319768 0.277522
C -5.486047 0.480874 0.564390
C -3.977345 -0.714624 -1.014864
C 0.258627 0.227730 0.064377
C -1.147283 2.395660 -1.041346
C 0.957729 1.243659 -0.630592
C 0.251142 2.330396 -1.183449
C 0.822591 -2.150221 -0.085339
C 3.218243 1.143261 0.307064
C 1.895995 -4.389212 -0.049235
C 5.650749 0.930646 0.749365
H -3.879988 -1.280928 1.723140
H -3.349475 0.367226 2.202296
H -3.590901 2.232835 0.717868
H -3.812037 1.962866 -1.037094
H -1.812534 -1.715266 0.499027
H -1.317514 -0.955688 2.013029
H -5.976698 1.027487 -0.255860
H -5.995422 -0.481352 0.726685
H -5.522984 1.080918 1.486572
H -2.938691 -0.817853 -1.358328
H -4.376532 -1.697794 -0.721846
H -4.594550 -0.282762 -1.817809
H -1.694895 3.228564 -1.496448
H 0.806345 3.096270 -1.731413
H 2.475870 -2.594828 1.027793
H 4.612169 0.790721 -1.150856
H 1.792963 -5.071524 0.812935
H 2.864804 -4.577679 -0.543979
H 1.088084 -4.596387 -0.767652
H 6.343951 1.747155 0.479725
H 6.194338 -0.029883 0.708418
H 5.296207 1.095591 1.778590


