%chk=000047127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047127

2 1
 N   0.7789000      0.7298000      1.3700000E-02
 N   -2.851200     -0.5888000     -8.6000003E-02
 C    3.249700      0.9391000     -0.7531000    
 C    2.779300     -0.2134000       1.372200    
 C    1.762800      0.9478000      -1.146700    
 C    1.269800     -0.2612000       1.081100    
 C    3.481200      0.9842000      0.7499000    
 C  -0.5240000      0.1599000     -0.5836000    
 C    3.958300     -0.3117000      -1.317900    
 C    3.473800      -1.499300      0.8722000    
 C   -1.545200     -8.6000003E-02  0.5098000    
 C    3.489500      -1.607800     -0.6539000    
 C   0.3890000       2.070400      0.6548000    
 C   -3.916300     -0.7672000       1.015600    
 C   -3.430300      0.4538000      -1.064300    
 C   -4.870400      0.3942000      0.8187000    
 C   -4.893700      0.5655000     -0.6844000    
 C   -2.601200      -1.909300     -0.7981000    
 H    3.727700       1.813700      -1.212200    
 H    2.915800     -0.1782000       2.460700    
 H    1.499600       1.913100      -1.597100    
 H    1.557400      0.1853000      -1.907200    
 H   0.9800000      -1.268500      0.7596000    
 H   0.7241000     -4.7499999E-02   2.007700    
 H    4.556800      0.9487000      0.9684000    
 H    3.131300       1.921100       1.188500    
 H  -0.8552000      0.8688000      -1.349600    
 H  -0.2338000     -0.7702000      -1.082900    
 H    5.039800     -0.2071000      -1.160600    
 H    3.810500     -0.3777000      -2.402500    
 H    2.991800      -2.386100       1.301000    
 H    4.509700      -1.506200       1.235800    
 H   -1.229300     -0.8518000       1.225200    
 H   -1.807100      0.8187000       1.065800    
 H    2.486600      -1.863600      -1.014800    
 H    4.143300      -2.433700     -0.9570000    
 H  -8.4799998E-02   1.904200       1.625100    
 H    1.286000       2.673900      0.7950000    
 H  -0.2832000       2.605700     -2.3800001E-02
 H   -3.437000     -0.7739000       1.999300    
 H   -4.424700      -1.723500      0.8506000    
 H   -3.270000      0.1317000      -2.097500    
 H   -2.935400       1.414800     -0.8860000    
 H   -4.479700       1.297000       1.302900    
 H   -5.861700      0.1880000       1.232000    
 H   -5.472800     -0.2384000      -1.154000    
 H   -5.328100       1.521500     -0.9902000    
 H   -2.121900      -2.598800     -9.7300000E-02
 H   -3.567200      -2.311000      -1.121000    
 H   -1.982100      -1.746000      -1.683000    


%chk=000047127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047127

2 1
N 0.823345 0.704934 0.143846
N -2.945938 -0.526324 -0.039775
C 3.308096 0.996113 -0.762143
C 2.961530 -0.299476 1.363183
C 1.780067 0.963170 -1.080755
C 1.416490 -0.355436 1.133199
C 3.604092 0.970228 0.757991
C -0.498166 0.174614 -0.457559
C 4.020379 -0.220969 -1.424135
C 3.656417 -1.549551 0.746032
C -1.634098 -0.009693 0.577965
C 3.571441 -1.564592 -0.799763
C 0.565175 2.039020 0.852839
C -4.072215 -0.556349 1.082420
C -3.511251 0.435911 -1.137667
C -5.187868 0.386683 0.590200
C -5.033721 0.389990 -0.949439
C -2.780644 -1.935654 -0.612497
H 3.713487 1.926869 -1.197747
H 3.126335 -0.305592 2.455699
H 1.429585 1.916077 -1.513442
H 1.563972 0.155137 -1.800721
H 1.139845 -1.338160 0.711611
H 0.871862 -0.212055 2.081746
H 4.697596 0.906012 0.896270
H 3.301393 1.895125 1.280102
H -0.790729 0.896869 -1.239828
H -0.244065 -0.781675 -0.942926
H 5.110316 -0.093793 -1.285020
H 3.847332 -0.225216 -2.517024
H 3.229632 -2.480156 1.166798
H 4.718171 -1.530516 1.056144
H -1.348502 -0.735987 1.357815
H -1.890071 0.947318 1.062024
H 2.532514 -1.804545 -1.121968
H 4.190518 -2.387053 -1.198853
H 0.038914 1.868428 1.803749
H 1.524768 2.523919 1.062698
H -0.028677 2.689010 0.190231
H -3.616753 -0.257079 2.039249
H -4.410066 -1.601418 1.159072
H -3.152432 0.105349 -2.124977
H -3.125848 1.446384 -0.915592
H -5.059829 1.404876 0.997115
H -6.177005 0.024293 0.912094
H -5.474814 -0.512495 -1.408229
H -5.514759 1.263301 -1.418100
H -2.466031 -2.621313 0.189771
H -3.750748 -2.265956 -1.012677
H -2.042641 -1.934578 -1.428124


