%chk=000050339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050339

0 1
 N  -0.4774000     -1.0400000E-02  -1.460900    
 N   -3.844900      1.7000001E-02   1.034700    
 N    5.026700     -3.4899998E-02 -0.3745000    
 C   -1.619400     -1.1000000E-03 -0.6146000    
 C   -2.181600      -1.211200     -0.1955000    
 C   -2.171000       1.218000     -0.2081000    
 C   -3.309600      -1.154600      0.6403000    
 C   -3.299500       1.179700      0.6283000    
 C   0.8971000     -1.5500000E-02  -1.189700    
 C   -1.647800      -2.451000     -0.5886000    
 C   -1.626600       2.448900     -0.6139000    
 C    3.643100     -2.8000001E-02 -0.6475000    
 C   -3.873900      -2.355900       1.060900    
 C   -3.853300       2.390200       1.036400    
 C    5.556300     -3.1399999E-02  0.9540000    
 C    1.824200     -2.5699999E-02  -2.237900    
 C    1.356500     -1.1700000E-02  0.1324000    
 C    3.192700     -3.2000002E-02  -1.967800    
 C    2.725000     -1.7899999E-02  0.4025000    
 C    7.080300      2.1700000E-02  0.9277000    
 C   -2.230600      -3.637700     -0.1542000    
 C   -2.199100       3.645100     -0.1919000    
 C   -3.346000      -3.589700      0.6723000    
 C   -3.314800       3.615300      0.6350000    
 C    7.693400      7.2800003E-02   2.320300    
 H  -0.7204000     -1.0900000E-02  -2.447200    
 H  -0.7795000      -2.524800      -1.238100    
 H  -0.7577000       2.508500      -1.264000    
 H    5.242600     -0.9336000       1.493000    
 H    5.190900      0.8423000       1.507500    
 H   -4.748500      -2.344800       1.708900    
 H   -4.727900       2.393300       1.684500    
 H    1.488300     -2.9100001E-02  -3.272000    
 H   0.6639000     -4.6000001E-03  0.9701000    
 H    5.657600     -5.1500000E-02  -1.168300    
 H    3.897900     -3.9999999E-02  -2.795000    
 H    3.031500     -1.6799999E-02   1.444200    
 H    7.471300     -0.8546000      0.3961000    
 H    7.410200      0.9021000      0.3623000    
 H   -1.817200      -4.593900     -0.4599000    
 H   -1.777600       4.594400     -0.5076000    
 H   -3.808700      -4.509800       1.016800    
 H   -3.769500       4.543000      0.9699000    
 H    7.356400      0.9615000       2.863400    
 H    7.415600     -0.8119000       2.901800    
 H    8.785200      0.1079000       2.253300    


%chk=000050339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050339

0 1
N -0.413378 0.834908 -1.282361
N -4.017614 -0.082278 0.891050
N 5.096676 -0.260992 -0.359639
C -1.554122 0.509083 -0.534302
C -1.773912 -0.793664 0.038092
C -2.588833 1.503080 -0.397867
C -3.018097 -1.015284 0.770809
C -3.815605 1.137766 0.299511
C 0.955801 0.515552 -1.018770
C -0.877969 -1.906175 -0.133138
C -2.461510 2.846690 -0.895414
C 3.740133 -0.007302 -0.562288
C -3.251171 -2.303022 1.372077
C -4.874442 2.108129 0.398116
C 5.698258 -0.532891 0.948081
C 1.877057 0.486033 -2.099726
C 1.445128 0.288597 0.292626
C 3.242990 0.241991 -1.877539
C 2.807698 0.017277 0.518709
C 7.217459 -0.759832 0.816087
C -1.151459 -3.146643 0.439819
C -3.504694 3.764576 -0.775430
C -2.340728 -3.343655 1.218983
C -4.731718 3.385834 -0.134945
C 7.881705 -1.058512 2.176028
H -0.553888 1.548947 -1.999713
H 0.029848 -1.779990 -0.727610
H -1.518673 3.181862 -1.344727
H 5.232266 -1.430979 1.410911
H 5.514991 0.316548 1.642105
H -4.183401 -2.422403 1.932758
H -5.786096 1.791998 0.914494
H 1.516247 0.646775 -3.123024
H 0.754810 0.323468 1.141596
H 5.709188 -0.276115 -1.174327
H 3.935185 0.230477 -2.729014
H 3.148252 -0.161769 1.542852
H 7.399764 -1.603165 0.119529
H 7.680366 0.140213 0.363524
H -0.456906 -3.980417 0.289158
H -3.382282 4.785360 -1.153860
H -2.535617 -4.320360 1.676078
H -5.546261 4.113847 -0.050944
H 7.734287 -0.221839 2.883958
H 7.455618 -1.969546 2.635806
H 8.968847 -1.215479 2.061279


