%chk=000050337.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050337

0 1
 N   4.9899999E-02  6.9999998E-04  -1.372400    
 N    3.601600      1.9999999E-04  0.8533000    
 N   -5.353100     -7.4000000E-03  0.1382000    
 C    1.254300      3.9999999E-04 -0.6175000    
 C    1.841600      -1.214400     -0.2495000    
 C    1.841800       1.215000     -0.2496000    
 C    3.031500      -1.166900      0.4963000    
 C    3.031800       1.167400      0.4961000    
 C   -1.299400      1.7000000E-03 -0.9952000    
 C    1.273000      -2.449600     -0.6058000    
 C    1.273500       2.450400     -0.6060000    
 C    3.621100      -2.373000      0.8658000    
 C    3.621700       2.373300      0.8656000    
 C   -2.305100      2.7000001E-03  -1.968100    
 C   -1.654600     -2.0000001E-03  0.3586000    
 C   -3.995000     -3.5000001E-03 -0.2413000    
 C    1.882200      -3.641100     -0.2240000    
 C    1.883000       3.641900     -0.2241000    
 C    3.058700      -3.602400      0.5133000    
 C    3.059500       3.602800      0.5132000    
 C   -3.648400      3.0000001E-04  -1.592600    
 C   -2.997900     -4.4999998E-03  0.7343000    
 C   -5.778100     -1.1400000E-02   1.503900    
 C   -7.293500      1.9700000E-02   1.607300    
 H   0.2154000      1.0500000E-02  -2.374700    
 H   0.3563000      -2.516200      -1.186000    
 H   0.3569000       2.517200      -1.186200    
 H    4.543500      -2.369100       1.443800    
 H    4.544000       2.369200       1.443600    
 H   -2.050500      4.6999999E-03  -3.025200    
 H  -0.8988000     -3.8000001E-03   1.139900    
 H    1.441800      -4.593900     -0.5015000    
 H    1.442800       4.594700     -0.5015000    
 H    3.542500      -4.526400      0.8161000    
 H    3.543400       4.526600      0.8161000    
 H   -4.415800      7.9999998E-04  -2.362500    
 H   -3.222800     -8.8999998E-03   1.796600    
 H   -6.044300     -1.0300000E-02 -0.6039000    
 H   -5.417000     -0.9112000       2.015900    
 H   -5.384900      0.8652000       2.032300    
 H   -7.700800      0.9173000       1.129700    
 H   -7.738100     -0.8519000       1.115100    
 H   -7.606000      1.7500000E-02   2.656200    


%chk=000050337-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050337

0 1
N -0.026013 0.817014 -1.156908
N 3.755281 -0.068394 0.706615
N -5.431136 -0.459235 0.096056
C 1.173482 0.498320 -0.503182
C 1.475868 -0.819250 -0.008070
C 2.182273 1.521936 -0.393394
C 2.778800 -1.028988 0.618872
C 3.469811 1.169446 0.191467
C -1.364397 0.447989 -0.813983
C 0.604254 -1.953597 -0.160447
C 1.972468 2.882359 -0.810865
C 3.097843 -2.332691 1.141047
C 4.501329 2.171478 0.257188
C -2.361965 0.458378 -1.825627
C -1.751663 0.134493 0.513453
C -4.097418 -0.164546 -0.189284
C 0.959466 -3.207150 0.333958
C 2.991053 3.831093 -0.723427
C 2.211110 -3.396454 1.010785
C 4.275973 3.467033 -0.198537
C -3.702833 0.169970 -1.520224
C -3.088781 -0.180031 0.821183
C -5.927704 -0.813384 1.428431
C -7.440641 -1.087022 1.387426
H 0.044395 1.562031 -1.852807
H -0.350848 -1.833299 -0.677043
H 0.986379 3.203501 -1.167945
H 4.073921 -2.443379 1.623442
H 5.460009 1.864505 0.686604
H -2.080908 0.686449 -2.861137
H -1.002059 0.137023 1.311262
H 0.280934 -4.056823 0.200098
H 2.805854 4.864007 -1.037985
H 2.470734 -4.384492 1.407244
H 5.070489 4.219285 -0.140334
H -4.455229 0.190723 -2.318798
H -3.349265 -0.423365 1.855556
H -6.104494 -0.433760 -0.668677
H -5.397553 -1.713412 1.808600
H -5.718465 0.008440 2.147012
H -7.997385 -0.194112 1.047406
H -7.674620 -1.926195 0.706368
H -7.810648 -1.353594 2.392197


