%chk=000046833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046833

0 1
 N   0.2352000       1.636400      0.2291000    
 C   0.5391000      -1.190000      0.3154000    
 C  -0.9004000     -0.6168000      6.4800002E-02
 C    1.517500      0.9411000      0.4304000    
 C    1.291900     -0.2900000       1.301300    
 C  -0.7761000      0.8406000     -0.4958000    
 C    1.460200      -1.088500     -0.9220000    
 C    2.082700      0.3172000     -0.8544000    
 C   -1.714300     -0.6687000       1.381200    
 C   -1.646700      -1.513800     -0.9496000    
 C   -2.089200       1.632300     -0.5004000    
 H   0.4832000      -2.222700      0.6773000    
 H    2.231600       1.631300      0.8900000    
 H   0.7541000     -7.3500000E-02   2.227400    
 H    2.250000     -0.7447000       1.585300    
 H  -0.4649000      0.7814000      -1.547200    
 H   0.9534000      -1.263100      -1.873500    
 H    2.259700      -1.836300     -0.8469000    
 H    3.173800      0.2295000     -0.7826000    
 H    1.870300      0.9121000      -1.748900    
 H   0.4009000       2.503100     -0.2829000    
 H   -1.634400      -1.655300       1.851800    
 H   -1.384100      7.9300001E-02   2.108000    
 H   -2.779700     -0.4848000       1.200800    
 H   -1.629900      -2.562000     -0.6299000    
 H   -2.697500      -1.220900      -1.049300    
 H   -1.206400      -1.463700      -1.949700    
 H   -1.954100       2.599300     -0.9994000    
 H   -2.874800       1.097300      -1.042200    
 H   -2.449800       1.836600      0.5133000    


%chk=000046833-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046833

0 1
N 0.209205 1.596829 0.290179
C 0.539145 -1.203317 0.290822
C -0.913779 -0.630882 0.068709
C 1.535654 0.941925 0.462494
C 1.316909 -0.330753 1.312833
C -0.778531 0.823621 -0.513890
C 1.463008 -1.077171 -0.970942
C 2.125802 0.340553 -0.860756
C -1.692751 -0.624391 1.412528
C -1.675114 -1.536851 -0.933342
C -2.095289 1.622952 -0.565574
H 0.445833 -2.258130 0.614652
H 2.215269 1.672939 0.935129
H 0.773210 -0.121812 2.246506
H 2.287508 -0.801373 1.564488
H -0.428612 0.699324 -1.570951
H 0.910611 -1.204389 -1.918539
H 2.233171 -1.870131 -0.939705
H 3.226282 0.262771 -0.784542
H 1.899684 0.984513 -1.730802
H 0.295696 2.560068 -0.063133
H -1.537968 -1.574620 1.958652
H -1.366369 0.206264 2.061171
H -2.779081 -0.513069 1.238992
H -1.758803 -2.564102 -0.530168
H -2.701678 -1.167608 -1.111985
H -1.166642 -1.600234 -1.912839
H -1.929873 2.606964 -1.046529
H -2.867603 1.095518 -1.152670
H -2.483592 1.807293 0.450611


