%chk=000052685.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052685

0 1
 O   -1.888200      -2.009600      0.4899000    
 N   -2.445000     -0.4884000      -1.213400    
 C  -0.8826000      0.2604000     -9.8399997E-02
 C   0.5832000     -3.2800000E-02 -0.4129000    
 C   -1.693300      0.7525000      -1.303300    
 C    1.410200       1.260100     -0.3961000    
 C    1.154400      -1.059500      0.5741000    
 C   -1.006600       1.093200       1.148700    
 C   -1.777100     -0.9815000     -0.1374000    
 C    2.889800      0.9861000     -0.6556000    
 C    2.634500      -1.329600      0.3132000    
 C    3.451700     -4.1400000E-02  0.3219000    
 C   -2.431000       1.590600       1.369200    
 H   0.6618000     -0.4727000      -1.417700    
 H   -2.326500       1.635700      -1.216600    
 H   -1.148400      0.8248000      -2.251200    
 H    1.386900       1.757700      0.5768000    
 H    1.028300       1.971900      -1.136800    
 H   0.6219000      -2.012900      0.4995000    
 H    1.042400     -0.7179000       1.609200    
 H  -0.4167000       2.010600       1.125700    
 H  -0.7016000      0.5290000       2.036600    
 H    3.458600       1.919500     -0.5762000    
 H    3.017600      0.6218000      -1.682400    
 H    2.749100      -1.828000     -0.6573000    
 H    3.023600      -2.017500       1.072500    
 H   -3.211600     -0.8809000      -1.742100    
 H    4.493400     -0.2638000      6.4700000E-02
 H    3.455800      0.3812000       1.334200    
 H   -2.713700       2.379700      0.6673000    
 H   -3.172000      0.7877000       1.318400    
 H   -2.505900       2.033400       2.369400    


%chk=000052685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052685

0 1
O -2.025391 -1.976338 0.321476
N -2.411787 -0.328717 -1.412347
C -0.887979 0.358410 -0.085840
C 0.613554 0.007717 -0.317070
C -1.600640 0.921011 -1.387115
C 1.513558 1.263968 -0.464575
C 1.197038 -0.942622 0.763495
C -1.162156 1.153648 1.214867
C -1.832344 -0.892984 -0.273598
C 2.966833 0.866584 -0.822295
C 2.648509 -1.349204 0.412348
C 3.556257 -0.109488 0.224356
C -2.656031 1.348959 1.558670
H 0.661655 -0.542017 -1.285487
H -2.195740 1.839472 -1.241342
H -0.934645 1.037626 -2.260767
H 1.522453 1.829784 0.489295
H 1.103989 1.944566 -1.238568
H 0.553946 -1.836264 0.863840
H 1.199185 -0.433195 1.748931
H -0.666754 2.141830 1.141023
H -0.679452 0.620412 2.055332
H 3.599588 1.772409 -0.899813
H 2.978154 0.381448 -1.820609
H 2.643889 -1.944710 -0.524437
H 3.057850 -2.005772 1.204437
H -3.132728 -0.665777 -2.053882
H 4.575268 -0.421746 -0.076688
H 3.656454 0.417901 1.196134
H -3.203021 1.879457 0.757403
H -3.154475 0.377148 1.723833
H -2.762037 1.945883 2.482893


