%chk=000063526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063526

0 1
 O   -1.062800       2.594900      0.4484000    
 N    1.461900      -2.653400     -4.0800001E-02
 N   0.2437000      0.6990000     -4.9100000E-02
 N  -0.8500000      -1.373400     -0.4607000    
 N   -5.873000       1.021400      0.2704000    
 C    1.521900      -1.375000     -0.7132000    
 C   0.2301000     -0.6593000     -0.3749000    
 C    1.338900      -2.480300       1.412100    
 C    2.645800      -3.466600     -0.3463000    
 C    1.468200       1.424400      0.1509000    
 C  -0.9605000       1.409300      0.1419000    
 C   -2.197000      0.6094000      1.6200000E-02
 C   -2.087000     -0.7543000     -0.2556000    
 C    2.071400       2.096300     -0.9060000    
 C    1.275500      -3.822400       2.121600    
 C    2.759300      -3.732200      -1.837900    
 C   -3.452200       1.203900      0.1922000    
 C    2.036700       1.442600       1.419500    
 C   -3.253300      -1.522400     -0.3509000    
 C   -4.606000      0.4277000      9.4099998E-02
 C    3.259100       2.795800     -0.6916000    
 C   -4.507200     -0.9351000     -0.1761000    
 C    1.476700       2.088900      -2.276800    
 C    3.224200       2.142100       1.634100    
 C    3.835400       2.818700      0.5785000    
 H    2.416600     -0.8126000     -0.4383000    
 H    1.509400      -1.478500      -1.804000    
 H    2.178300      -1.899600       1.816800    
 H   0.4231000      -1.948300       1.688900    
 H    3.568000      -2.998300      1.9700000E-02
 H    2.571400      -4.457500      0.1120000    
 H   0.5620000      -4.503000       1.644400    
 H    2.252400      -4.311100       2.188100    
 H   0.9378000      -3.672400       3.153600    
 H    1.814700      -4.095100      -2.257500    
 H    3.078100      -2.846600      -2.396200    
 H    3.515500      -4.504800      -2.017600    
 H   -3.538000       2.266300      0.4073000    
 H    1.568500      0.9182000       2.248300    
 H   -3.191100      -2.586600     -0.5661000    
 H    3.748900       3.328400      -1.502500    
 H   -5.398800      -1.552000     -0.2553000    
 H    2.085000       2.660100      -2.986700    
 H    1.406000       1.067000      -2.662300    
 H   0.4805000       2.542400      -2.266800    
 H    3.673100       2.159600       2.622900    
 H    4.760100       3.363200      0.7457000    
 H   -5.945900       2.011400      0.4636000    
 H   -6.710200      0.4590000      0.1964000    


%chk=000063526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063526

0 1
O -0.977069 2.579365 0.601435
N 1.702414 -2.648912 0.036294
N 0.187821 0.623882 -0.000326
N -0.946438 -1.376308 -0.724505
N -5.957544 1.097608 0.177233
C 1.500608 -1.415008 -0.764731
C 0.173224 -0.719532 -0.476127
C 1.821452 -2.368931 1.491132
C 2.810508 -3.477916 -0.505721
C 1.433216 1.351485 0.239505
C -1.022019 1.369578 0.225536
C -2.261062 0.608604 -0.017662
C -2.172825 -0.740512 -0.487985
C 2.004102 2.125034 -0.806861
C 1.619655 -3.617707 2.369633
C 2.460724 -4.162161 -1.842040
C -3.513037 1.225621 0.202771
C 2.014587 1.305753 1.523067
C -3.383959 -1.449622 -0.728448
C -4.711469 0.510619 -0.035941
C 3.206078 2.821091 -0.527191
C -4.624202 -0.842940 -0.507850
C 1.336039 2.220851 -2.163543
C 3.209089 2.011148 1.782475
C 3.809595 2.765893 0.749676
H 2.342777 -0.693771 -0.641499
H 1.471483 -1.710506 -1.828186
H 2.797831 -1.877534 1.743069
H 1.026199 -1.642882 1.744896
H 3.754230 -2.881653 -0.620480
H 3.025819 -4.265254 0.237356
H 0.667612 -4.110355 2.106313
H 2.434583 -4.355212 2.256849
H 1.585073 -3.327665 3.436304
H 1.520879 -4.730731 -1.736782
H 2.332138 -3.440145 -2.668412
H 3.268568 -4.857990 -2.135809
H -3.523306 2.261908 0.559158
H 1.521666 0.730970 2.313707
H -3.311244 -2.480886 -1.087029
H 3.666681 3.421443 -1.320654
H -5.547557 -1.404777 -0.696244
H 1.951594 2.804731 -2.868177
H 1.156351 1.224615 -2.608930
H 0.352006 2.717933 -2.075724
H 3.660155 1.976714 2.779770
H 4.736999 3.317711 0.939190
H -6.029933 2.053753 0.512292
H -6.814890 0.581801 0.003598


