%chk=000025653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025653

0 1
 O    2.970700     -0.3620000       1.483100    
 N    4.748300     -0.5035000      3.3100002E-02
 C   -3.564200      -1.261900     -0.2136000    
 C   -3.819300     -9.7900003E-02  0.7352000    
 C   -2.099000      -1.689400     -0.1523000    
 C   -2.993200       1.119000      0.3226000    
 C   -1.136900     -0.5304000     -0.2326000    
 C   -1.550700      0.7886000      3.0400001E-02
 C   0.2129000     -0.7844000     -0.5201000    
 C  -0.6134000       1.830600     -3.5599999E-02
 C    1.136500      0.2590000     -0.5727000    
 C   0.7231000       1.566100     -0.3332000    
 C    2.566700     -2.5800001E-02 -0.8856000    
 C    3.418500     -0.3080000      0.3412000    
 H   -3.824200     -0.9646000      -1.237500    
 H   -4.206200      -2.110600      4.7499999E-02
 H   -3.560000     -0.3955000       1.759200    
 H   -4.883400      0.1633000      0.7364000    
 H   -1.904000      -2.393700     -0.9697000    
 H   -1.915400      -2.218100      0.7915000    
 H   -3.050100       1.869400       1.120200    
 H   -3.429300       1.562600     -0.5812000    
 H   0.5390000      -1.806500     -0.7015000    
 H  -0.9225000       2.857100      0.1460000    
 H    1.431600       2.389200     -0.3728000    
 H    2.640100     -0.8886000      -1.560100    
 H    3.007400      0.8214000      -1.426800    
 H    5.096500     -0.4571000     -0.9192000    
 H    5.428400     -0.7026000      0.7591000    


%chk=000025653-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025653

0 1
O 4.902048 -0.842052 -0.614983
N 3.296011 -0.340420 0.985984
C -3.490140 -1.170664 0.065600
C -3.586166 0.057387 0.998053
C -2.029955 -1.668307 -0.013731
C -2.762665 1.230688 0.422430
C -1.024788 -0.544896 -0.262863
C -1.363461 0.818644 -0.030409
C 0.278915 -0.864195 -0.719582
C -0.378216 1.812960 -0.260297
C 1.264091 0.125724 -0.953096
C 0.914282 1.481329 -0.713584
C 2.658435 -0.251750 -1.420179
C 3.718244 -0.504896 -0.319053
H -3.847736 -0.888751 -0.945070
H -4.144274 -1.986568 0.426348
H -3.202309 -0.217469 2.001281
H -4.640032 0.367883 1.127552
H -1.927097 -2.439260 -0.801580
H -1.772631 -2.171663 0.942272
H -2.687003 2.050143 1.163365
H -3.306237 1.655172 -0.447991
H 0.530362 -1.917689 -0.904883
H -0.635473 2.865654 -0.085528
H 1.654014 2.271851 -0.889659
H 2.638711 -1.173664 -2.029944
H 3.087029 0.534273 -2.069217
H 2.337614 -0.067601 1.201699
H 3.966324 -0.496162 1.738063


