%chk=000050467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050467

0 1
 N  -0.5170000       2.170800     -0.3155000    
 C   0.1101000      0.8512000     -0.5070000    
 C   0.3355000       3.224200     -0.8801000    
 C    1.541800      0.7936000     -2.5200000E-02
 C    1.643400       3.316000     -8.7499999E-02
 C    2.289600       1.973100      0.1326000    
 C   -1.846100       2.196300     -0.9250000    
 C    2.152000     -0.4468000      0.2055000    
 C    3.623400       1.897000      0.5543000    
 C   -2.759300       1.161800     -0.3227000    
 C    3.483300     -0.5127000      0.6157000    
 C    1.440900      -1.698600      2.0099999E-02
 C    4.217500      0.6581000      0.7923000    
 C   -2.809600     -0.1102000     -0.8757000    
 C   -3.537500       1.494600      0.7773000    
 C   0.7473000      -2.265800       1.086300    
 C    1.455000      -2.326200      -1.223000    
 C   -3.655500      -1.068800     -0.3176000    
 C   -4.383200      0.5358000       1.335400    
 C   6.3699998E-02  -3.468600      0.9082000    
 C   0.7713000      -3.528900      -1.401000    
 C   -4.442100     -0.7458000      0.7878000    
 C   7.5599998E-02  -4.100100     -0.3353000    
 H   9.4700001E-02  0.5546000      -1.563900    
 H  -0.4429000      0.1248000      9.2299998E-02
 H  -0.1645000       4.198900     -0.8238000    
 H   0.5469000       3.028500      -1.940200    
 H    1.444500       3.763100      0.8950000    
 H    2.334500       3.978000     -0.6227000    
 H   -1.791700       2.051400      -2.013200    
 H   -2.302300       3.185200     -0.7821000    
 H    4.205400       2.803500      0.6994000    
 H    3.967800      -1.468900      0.8007000    
 H    5.253200      0.6063000       1.114900    
 H   -2.214200     -0.3742000      -1.745000    
 H   -3.497900       2.488900       1.213100    
 H   0.7270000      -1.785200       2.061400    
 H    1.991500      -1.893300      -2.064000    
 H   -3.702600      -2.066000     -0.7452000    
 H   -4.995400      0.7869000       2.196600    
 H  -0.4790000      -3.912700       1.737600    
 H   0.7798000      -4.020400      -2.369400    
 H   -5.100700      -1.492200       1.222300    
 H  -0.4575000      -5.036100     -0.4741000    


%chk=000050467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050467

0 1
N -0.515831 2.065640 -0.617291
C 0.186464 0.764696 -0.698643
C 0.349530 3.160540 -1.109861
C 1.561364 0.787992 -0.034445
C 1.524436 3.349285 -0.137071
C 2.201619 2.031622 0.222267
C -1.836355 2.019589 -1.284888
C 2.202306 -0.429492 0.358938
C 3.467677 2.057199 0.857825
C -2.856524 1.155429 -0.547150
C 3.462757 -0.372275 1.009345
C 1.593505 -1.781702 0.135141
C 4.098792 0.862291 1.255263
C -3.817666 0.405965 -1.268525
C -2.890300 1.130452 0.869963
C 1.467288 -2.686881 1.224650
C 1.182626 -2.221265 -1.152363
C -4.804138 -0.346435 -0.589981
C -3.870773 0.375796 1.550417
C 0.937511 -3.982361 1.037094
C 0.656832 -3.517787 -1.343473
C -4.834318 -0.363072 0.823283
C 0.528592 -4.404081 -0.249122
H 0.299963 0.460965 -1.774581
H -0.445103 -0.009367 -0.227834
H -0.247387 4.089368 -1.166998
H 0.736101 2.946555 -2.140548
H 1.139389 3.816684 0.790615
H 2.266083 4.049665 -0.568625
H -1.758012 1.665512 -2.346119
H -2.213050 3.061681 -1.327844
H 3.952524 3.023828 1.044098
H 3.951821 -1.309150 1.298671
H 5.078314 0.888969 1.745236
H -3.793317 0.408364 -2.365967
H -2.130057 1.697341 1.419006
H 1.770066 -2.359795 2.226146
H 1.303427 -1.554800 -2.013478
H -5.541134 -0.922311 -1.161541
H -3.883949 0.361536 2.646455
H 0.839911 -4.659311 1.893453
H 0.353439 -3.837822 -2.346806
H -5.594969 -0.949054 1.351691
H 0.117247 -5.408900 -0.396805


