%chk=000050129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050129

0 1
 N    3.885000       1.642900     -0.4974000    
 C   3.3100002E-02 -9.3500003E-02  0.5048000    
 C    1.279500      0.3497000     -0.2771000    
 C   -1.178600      0.7700000      0.1666000    
 C  -0.1443000      -1.602300      0.4916000    
 C   -2.181100      0.4819000     -0.7808000    
 C  -0.6039000      -2.310200     -0.6302000    
 C   -2.299600     -0.7718000      -1.618700    
 C   -1.045600      -1.594700      -1.874400    
 C    2.544800     -0.2301000      0.3417000    
 C   -1.259400       1.999900      0.8679000    
 C    3.776300      0.1893000     -0.4595000    
 C   0.2213000      -2.331000       1.641600    
 C   -3.235800       1.410500     -0.9559000    
 C  -0.6899000      -3.713400     -0.5812000    
 C   -2.299700       2.905300      0.6672000    
 C   -3.294900       2.607300     -0.2462000    
 C   0.1292000      -3.722100       1.679900    
 C  -0.3256000      -4.414500      0.5660000    
 C   -2.335300       4.186100       1.428000    
 C    3.979900       2.188200      0.8579000    
 C    5.044600       2.052300      -1.291700    
 H   0.2398000      0.1492000       1.559300    
 H    1.224200      6.7699999E-02  -1.331900    
 H    1.328500       1.445400     -0.2671000    
 H   -3.072000      -1.406100      -1.162600    
 H   -2.679200     -0.4771000      -2.607100    
 H   -1.278600      -2.333700      -2.652600    
 H  -0.2411000     -0.9874000      -2.294700    
 H    2.630600      2.3900000E-02   1.403600    
 H    2.514300      -1.325200      0.3007000    
 H  -0.4842000       2.254100       1.590800    
 H    4.669800     -0.2688000     -1.5600000E-02
 H    3.686200     -0.2053000      -1.479600    
 H   0.5921000      -1.815300       2.525000    
 H   -4.033500       1.196000      -1.665700    
 H   -1.051200      -4.272100      -1.441500    
 H   -4.121800       3.290100     -0.4193000    
 H   0.4169000      -4.261400       2.577500    
 H  -0.3991000      -5.497600      0.5887000    
 H   -2.695900       4.009100       2.446200    
 H   -1.337500       4.635300       1.478000    
 H   -2.994800       4.919700      0.9519000    
 H    4.197300       3.262800      0.8192000    
 H    4.773300       1.711600       1.445300    
 H    3.035100       2.114100       1.404500    
 H    4.963100       1.671200      -2.315800    
 H    5.987200       1.693000     -0.8632000    
 H    5.093400       3.144300      -1.368300    


%chk=000050129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050129

0 1
N 3.978507 1.708591 -0.376253
C -0.024254 -0.127506 0.546026
C 1.249796 0.321285 -0.257526
C -1.235419 0.748969 0.166384
C -0.206494 -1.647696 0.536698
C -2.228616 0.464967 -0.819886
C -0.613677 -2.374105 -0.620375
C -2.352620 -0.823634 -1.636968
C -1.068345 -1.653186 -1.878082
C 2.560561 -0.295060 0.274141
C -1.311231 1.989296 0.859559
C 3.811427 0.236034 -0.459436
C 0.115138 -2.371592 1.712979
C -3.233415 1.443332 -1.056082
C -0.670178 -3.789093 -0.565996
C -2.313799 2.957162 0.628922
C -3.287165 2.663679 -0.357195
C 0.051666 -3.782083 1.761685
C -0.337873 -4.499133 0.609498
C -2.356896 4.250172 1.425998
C 4.275639 2.184304 0.988800
C 4.964648 2.209118 -1.354496
H 0.205531 0.136545 1.599291
H 1.138555 0.072466 -1.330115
H 1.327577 1.423129 -0.207670
H -3.096789 -1.485824 -1.147126
H -2.784412 -0.555177 -2.621147
H -1.281065 -2.402161 -2.664047
H -0.279466 -0.990150 -2.278665
H 2.646623 -0.106817 1.364048
H 2.540375 -1.395971 0.157552
H -0.545303 2.203803 1.618087
H 4.717972 -0.297789 -0.066715
H 3.727763 -0.024127 -1.533311
H 0.421940 -1.816402 2.608426
H -3.994294 1.232652 -1.819222
H -0.986335 -4.340060 -1.460844
H -4.080728 3.388272 -0.576775
H 0.304199 -4.312202 2.686900
H -0.388430 -5.593698 0.626297
H -2.792498 4.086823 2.431120
H -1.345421 4.670418 1.573219
H -2.972480 5.014619 0.920220
H 4.356704 3.286164 0.985242
H 5.231290 1.767612 1.401763
H 3.459737 1.910368 1.679529
H 4.663275 1.908301 -2.373826
H 6.004066 1.829433 -1.175159
H 4.997114 3.313250 -1.319665


