%chk=000049921.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049921

0 1
 O    2.319100      -2.124200     -0.7310000    
 N   -2.192700      0.4481000      0.6903000    
 C   -3.392400     -0.2510000      0.2606000    
 C   -1.594000       1.184600     -0.4302000    
 C   -4.184000      -1.076300       1.240300    
 C   -3.400800      -1.753300      0.1541000    
 C  -0.3576000       1.994200      2.9899999E-02
 C   -1.225000      0.2218000      -1.564200    
 C  -0.1221000     -0.7598000      -1.169700    
 C   0.8785000       1.130700      0.2228000    
 C   0.9987000     -0.1378000     -0.3757000    
 C  -4.3200001E-02   3.120800     -0.9678000    
 C    1.941800       1.624300      0.9990000    
 C    2.171800     -0.8845000     -0.1782000    
 C    3.103400      0.8749000       1.180500    
 C    3.218800     -0.3791000      0.5911000    
 C    1.879700      -3.233300      4.8200000E-02
 H   -4.013700      0.2971000     -0.4450000    
 H   -2.344800       1.895100     -0.8026000    
 H   -5.263600      -1.068000       1.152400    
 H   -3.818700      -1.168200       2.256000    
 H   -2.524500      -2.312400      0.4568000    
 H   -3.951600      -2.195200     -0.6672000    
 H   -2.418400       1.104900       1.436900    
 H  -0.5991000       2.471100      0.9904000    
 H  -0.8692000      0.8128000      -2.418600    
 H   -2.090000     -0.3275000      -1.952700    
 H   0.2752000      -1.209300      -2.088000    
 H  -0.5578000      -1.567400     -0.5734000    
 H   0.7532000       3.771400     -0.5889000    
 H   0.2898000       2.733200      -1.936500    
 H  -0.9241000       3.749400      -1.135800    
 H    1.869000       2.603300       1.466900    
 H    3.916500       1.270700       1.781900    
 H    4.125500     -0.9600000      0.7374000    
 H   0.8728000      -3.076600      0.4465000    
 H    2.578500      -3.409500      0.8719000    
 H    1.867300      -4.118800     -0.5931000    


%chk=000049921-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049921

0 1
O 2.430276 -2.155363 -0.730140
N -2.212410 0.371874 0.587825
C -3.565626 -0.106049 0.375710
C -1.596068 1.126224 -0.534875
C -4.116103 -1.153081 1.347558
C -3.800241 -1.550950 -0.103074
C -0.390273 1.957182 -0.017324
C -1.139825 0.165349 -1.661309
C -0.098677 -0.844148 -1.143091
C 0.863142 1.108062 0.227173
C 1.013659 -0.187745 -0.341165
C -0.076907 3.136366 -0.980552
C 1.913538 1.655335 1.008323
C 2.234127 -0.882035 -0.118298
C 3.116637 0.950279 1.216974
C 3.284188 -0.329267 0.642063
C 2.056845 -3.296943 0.120836
H -4.296645 0.634155 -0.000909
H -2.334616 1.845027 -0.971615
H -5.163107 -1.077198 1.654415
H -3.432753 -1.514643 2.121475
H -2.911974 -2.166453 -0.267774
H -4.633668 -1.741879 -0.785832
H -2.115398 0.867846 1.483235
H -0.687039 2.410904 0.954808
H -0.714484 0.766336 -2.488149
H -2.013628 -0.373861 -2.069750
H 0.337676 -1.428575 -1.973318
H -0.619655 -1.565703 -0.481939
H 0.774983 3.733311 -0.610035
H 0.191658 2.768145 -1.987050
H -0.951812 3.806107 -1.077850
H 1.784294 2.648884 1.456586
H 3.919291 1.392623 1.817362
H 4.214091 -0.895418 0.761720
H 0.979267 -3.272175 0.378828
H 2.652575 -3.307029 1.055306
H 2.276960 -4.199293 -0.470848


