%chk=000050740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050740

0 1
 O   0.6018000      -1.646000      0.4844000    
 O   9.1799997E-02  -1.911700      -1.744600    
 N    2.293700      0.6870000      0.3744000    
 N   -4.767500       1.575400      0.5503000    
 C    2.510900     -0.5069000     -0.4312000    
 C    2.006800      -1.772500      0.2667000    
 C    2.819300       1.869400     -0.2945000    
 C    2.663200      -2.010600       1.620700    
 C    4.317000       1.714500     -0.5435000    
 C    2.529600       3.103600      0.5538000    
 C  -0.1577000      -1.478600     -0.6303000    
 C   -1.368400     -0.6771000     -0.3205000    
 C   -1.913900      0.1163000      -1.308800    
 C   -1.910300     -0.7499000      0.9466000    
 C   -3.617900      0.8134000      0.2558000    
 C   -3.051000      0.8699000      -1.017400    
 C   -3.047400      3.5999999E-03   1.238000    
 H    2.043300     -0.3812000      -1.413500    
 H    3.577800     -0.6800000     -0.6051000    
 H    2.194000      -2.648400     -0.3673000    
 H    2.313100       2.008800      -1.258400    
 H    1.297100      0.8028000      0.5558000    
 H    2.296800      -2.947500       2.055200    
 H    2.412300      -1.222400       2.338600    
 H    3.751700      -2.074800       1.529600    
 H    4.753900       2.675900     -0.8387000    
 H    4.848200       1.381400      0.3557000    
 H    4.536500       1.019900      -1.360400    
 H    1.453000       3.225700      0.7175000    
 H    2.892400       4.009900      5.6899998E-02
 H    3.016100       3.040300       1.533800    
 H   -1.479000      0.1715000      -2.302300    
 H   -1.493400      -1.382300       1.724700    
 H   -3.485500       1.498100      -1.790900    
 H   -3.481500     -5.0900001E-02   2.233100    
 H   -5.179400       1.534500       1.473100    
 H   -5.181800       2.162200     -0.1616000    


%chk=000050740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050740

0 1
O 0.533111 -0.980101 0.279860
O -0.122679 -1.558707 -1.892726
N 2.844356 0.784082 0.346640
N -5.564071 0.998093 0.606334
C 2.754758 -0.350483 -0.594885
C 1.917861 -1.502110 -0.004592
C 3.585099 1.974940 -0.145094
C 2.443262 -2.052772 1.322020
C 5.101948 1.687810 -0.208120
C 3.289934 3.160256 0.796365
C -0.405093 -1.067543 -0.766885
C -1.725556 -0.526189 -0.374540
C -2.770824 -0.517460 -1.338620
C -1.990756 -0.015717 0.925837
C -4.307056 0.498200 0.284819
C -4.040311 -0.015362 -1.021682
C -3.257957 0.488035 1.254729
H 2.316027 -0.066024 -1.582499
H 3.770395 -0.744504 -0.793236
H 1.817728 -2.294095 -0.769663
H 3.247447 2.257216 -1.176738
H 1.898688 1.043163 0.664383
H 1.759363 -2.821220 1.721045
H 2.558790 -1.241808 2.059187
H 3.435095 -2.514718 1.163876
H 5.650639 2.583162 -0.554307
H 5.471382 1.407527 0.794988
H 5.336509 0.863208 -0.905314
H 2.208172 3.395362 0.818010
H 3.826821 4.067141 0.465938
H 3.611157 2.915191 1.825359
H -2.559275 -0.913991 -2.337391
H -1.190834 -0.025892 1.671691
H -4.835804 -0.014962 -1.776693
H -3.449665 0.876293 2.262482
H -5.759228 1.362453 1.534553
H -6.313834 1.004822 -0.079431


