%chk=000029508.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029508

0 1
 O   0.3422000      -1.275800     -0.1937000    
 O    5.479700      0.6339000      0.3883000    
 O  -0.4105000      0.8700000      0.2476000    
 N   -1.896600     -0.8929000     -0.1837000    
 C    1.646400     -0.7923000     -4.6000000E-02
 C   -3.156400     -0.3000000     -9.6000001E-02
 C    4.211300      0.1623000      0.2443000    
 C    2.223300     -0.8206000       1.203200    
 C    2.299200     -0.3063000      -1.156200    
 C    3.523200     -0.3368000       1.350400    
 C    3.599200      0.1775000      -1.009100    
 C   -4.303800      -1.066600     -0.3001000    
 C   -3.269000       1.059400      0.1966000    
 C   -5.563400     -0.4742000     -0.2121000    
 C   -4.528800       1.651800      0.2846000    
 C  -0.6454000     -0.3040000     -1.4800000E-02
 C   -5.676000      0.8850000      8.0399998E-02
 C    6.125300       1.129600     -0.7836000    
 H    1.687700      -1.209300       2.063500    
 H    1.821400     -0.2954000      -2.130900    
 H    3.994700     -0.3512000       2.329300    
 H    4.075300      0.5506000      -1.909400    
 H   -4.231000      -2.126900     -0.5287000    
 H   -2.427100       1.716000      0.3671000    
 H   -1.888300      -1.886900     -0.3995000    
 H   -6.456700      -1.071000     -0.3711000    
 H   -4.617800       2.710100      0.5123000    
 H   -6.656800       1.346300      0.1489000    
 H    5.604700       2.003100      -1.190800    
 H    6.261400      0.3415000      -1.531900    
 H    7.124600       1.463400     -0.4855000    


%chk=000029508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029508

0 1
O 0.284731 -1.039117 -0.185334
O 5.694457 0.438990 0.383867
O -0.553926 1.134947 0.279129
N -1.947504 -0.737625 -0.159925
C 1.642053 -0.598834 -0.058401
C -3.264062 -0.205883 -0.065473
C 4.348105 0.112685 0.160550
C 2.281999 -0.689190 1.195881
C 2.333633 -0.156934 -1.198466
C 3.637827 -0.333254 1.304907
C 3.696623 0.202448 -1.095408
C -4.344863 -1.099940 -0.291854
C -3.524893 1.155637 0.241334
C -5.674138 -0.638419 -0.212423
C -4.862425 1.600253 0.316756
C -0.749703 -0.069001 0.010202
C -5.942668 0.716374 0.092785
C 6.473795 0.915278 -0.761085
H 1.720772 -1.033282 2.069922
H 1.811814 -0.094076 -2.158431
H 4.165857 -0.389717 2.261097
H 4.227958 0.546336 -1.987166
H -4.143776 -2.152555 -0.529189
H -2.692090 1.840339 0.414910
H -1.855364 -1.732210 -0.378808
H -6.498725 -1.337767 -0.389108
H -5.058253 2.651936 0.554141
H -6.975333 1.075153 0.154559
H 6.050853 1.851417 -1.174945
H 6.528918 0.148194 -1.558211
H 7.480331 1.108117 -0.362413


