%chk=000005961.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005961

0 1
 O   -2.138900       1.637000      0.5099000    
 O   -2.677300      0.2475000      -1.197300    
 O    2.903900      0.2551000       1.035100    
 N   -1.478900      -1.892200     -2.9100001E-02
 N    3.244100      0.1932000      -1.238500    
 C   0.1338000     -0.2355000      0.8758000    
 C   -1.342400     -0.6086000      0.6590000    
 C    1.003200     -0.1458000     -0.3839000    
 C   -2.115800      0.4356000     -0.1257000    
 C    2.468300      0.1136000     -0.1051000    
 H   0.1904000      0.7236000       1.407100    
 H   0.5783000     -0.9764000       1.554500    
 H   -1.831900     -0.7041000       1.635500    
 H   0.9500000      -1.082100     -0.9509000    
 H   0.6339000      0.6568000      -1.033100    
 H   -1.136000      -1.818600     -0.9858000    
 H   -2.464800      -2.142000     -9.8800004E-02
 H    2.856000      7.8000002E-02  -2.169300    
 H    4.241400      0.3697000      -1.178100    
 H   -2.645000       2.308100      4.1000000E-03


%chk=000005961-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005961

0 1
O -2.431275 1.513392 0.913618
O -2.225420 0.742369 -1.268791
O 2.593532 1.293881 0.615216
N -1.511760 -1.874104 -0.175331
N 3.357527 -0.054060 -1.108108
C 0.170249 -0.295426 0.806792
C -1.335338 -0.638408 0.602426
C 0.962710 -0.173738 -0.511902
C -2.037267 0.571076 -0.041781
C 2.359632 0.416976 -0.267823
H 0.270675 0.647860 1.373198
H 0.602648 -1.104164 1.422446
H -1.775158 -0.780438 1.604688
H 1.037884 -1.158938 -1.009344
H 0.437524 0.508126 -1.211520
H -1.339242 -1.740197 -1.178605
H -2.414861 -2.332924 -0.017601
H 3.181480 -0.773035 -1.807300
H 4.295687 0.335897 -1.017060
H -2.826927 2.308755 0.462180