%chk=000012460.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012460

0 1
 O   0.7090000       1.593600      0.3547000    
 N    2.711200     -0.3545000     -0.2278000    
 C    1.291800     -0.7623000     -6.2300000E-02
 C   0.3666000      0.4373000     -0.4220000    
 C    2.991200      0.8586000      0.5570000    
 C    2.059800       1.982600      0.1348000    
 C   0.9504000      -1.973900     -0.9460000    
 C   -1.104000      0.1768000     -0.1630000    
 C    3.654700      -1.406900      0.1591000    
 C   -2.070400      0.8033000     -0.9483000    
 C   -1.487300     -0.6886000      0.8603000    
 C   -3.423700      0.5639000     -0.7096000    
 C   -2.840600     -0.9281000       1.099000    
 C   -3.808700     -0.3018000      0.3140000    
 H    1.170900      -1.039100      0.9912000    
 H   0.4943000      0.6824000      -1.486600    
 H    4.025300       1.184900      0.3955000    
 H    2.862500      0.6554000       1.628300    
 H    2.252600       2.874300      0.7399000    
 H    2.201300       2.259300     -0.9170000    
 H    1.492500      -2.869100     -0.6253000    
 H  -0.1105000      -2.235900     -0.9124000    
 H    1.206900      -1.779800      -1.993800    
 H    3.489300      -1.754000       1.185200    
 H    4.687100      -1.045700      8.4100001E-02
 H    3.594800      -2.264700     -0.5173000    
 H   -1.782800       1.481300      -1.747200    
 H  -0.7785000      -1.179100       1.516700    
 H   -4.177600       1.052100      -1.320100    
 H   -3.141600      -1.597200       1.900000    
 H   -4.862400     -0.4869000      0.5009000    


%chk=000012460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012460

0 1
O 0.724161 1.535817 0.740368
N 2.708895 -0.313877 -0.256667
C 1.280399 -0.742510 -0.137295
C 0.365586 0.519785 -0.276055
C 3.048366 0.711189 0.762247
C 2.133537 1.928671 0.601818
C 0.914201 -1.790148 -1.205842
C -1.109208 0.220546 -0.079433
C 3.677277 -1.430668 -0.229475
C -1.990956 0.165827 -1.185863
C -1.621031 -0.018658 1.221107
C -3.359577 -0.137475 -1.002896
C -2.988767 -0.317017 1.407248
C -3.862140 -0.382485 0.295700
H 1.089040 -1.174615 0.880843
H 0.546048 0.941864 -1.290513
H 4.101725 1.019919 0.619158
H 2.946393 0.311582 1.803996
H 2.311167 2.675578 1.393812
H 2.299153 2.392476 -0.394131
H 1.448224 -2.742047 -1.046637
H -0.165841 -2.008460 -1.172264
H 1.166689 -1.414091 -2.214798
H 3.607376 -2.057090 0.695749
H 4.700311 -1.016989 -0.282768
H 3.540396 -2.088187 -1.102934
H -1.607706 0.367178 -2.194004
H -0.948431 0.063850 2.081039
H -4.031450 -0.174600 -1.867930
H -3.376112 -0.493952 2.417248
H -4.923625 -0.613211 0.441170


