%chk=000095513.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095513

0 1
 O    1.359500      -2.711000     -0.2187000    
 O   -1.401300      -2.695300      0.2149000    
 N    1.828800      0.4210000      -1.296900    
 N   -1.822500      0.4251000       1.298300    
 C   0.6213000      -1.500500     -0.4530000    
 C  -0.6368000      -1.509700      0.4545000    
 C    1.538100     -0.3459000     -0.2220000    
 C   -1.551700     -0.3282000      0.2200000    
 C    2.036600     -0.1186000       1.050600    
 C   -2.033000     -0.1096000      -1.050000    
 C    2.888300      0.9655000       1.232000    
 C   -2.871500      0.9847000      -1.231600    
 C    2.659800       1.465500      -1.082100    
 C   -2.640600       1.479700       1.083300    
 C    3.210800       1.777700      0.1503000    
 C   -3.185900       1.799600     -0.1496000    
 H   0.3342000      -1.537300      -1.510600    
 H  -0.3523000      -1.548500       1.512800    
 H    1.794400     -0.7583000       1.892000    
 H   -1.796500     -0.7532000      -1.889000    
 H   0.8283000      -3.447600     -0.5657000    
 H  -0.8814000      -3.448900      0.5418000    
 H    3.302000       1.175800       2.213600    
 H   -3.281400       1.200700      -2.213600    
 H    2.879800       2.067600      -1.957400    
 H   -2.854800       2.083700       1.958900    
 H    3.873000       2.627700      0.2681000    
 H   -3.837700       2.657600     -0.2676000    


%chk=000095513-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095513

0 1
O 1.438478 -2.765040 -0.066514
O -1.208181 -2.826318 0.128363
N 1.326790 0.801151 -0.786178
N -1.704530 0.580449 1.080506
C 0.716154 -1.537792 -0.398286
C -0.598187 -1.505918 0.440712
C 1.617044 -0.349298 -0.105119
C -1.534502 -0.360961 0.101714
C 2.680260 -0.446838 0.823501
C -2.190614 -0.289585 -1.152713
C 3.468071 0.698456 1.071766
C -3.043952 0.802113 -1.412840
C 2.093860 1.899625 -0.530408
C -2.527347 1.635418 0.810167
C 3.169477 1.899149 0.386767
C -3.214274 1.790473 -0.414701
H 0.439437 -1.518430 -1.472741
H -0.339483 -1.439047 1.515811
H 2.874386 -1.408040 1.305408
H -2.030550 -1.078424 -1.893780
H 0.754111 -3.487221 -0.047910
H -2.006497 -2.961022 0.696475
H 4.300609 0.655406 1.782403
H -3.561736 0.887053 -2.374262
H 1.833656 2.804782 -1.091495
H -2.636499 2.373399 1.613318
H 3.755613 2.809287 0.549828
H -3.864093 2.656474 -0.576492


