%chk=000003539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003539

0 1
 O   -3.958500       2.098500      0.4041000    
 O   -2.199400       2.993700     -0.9774000    
 N  -0.5201000      -2.819000     -0.8931000    
 N   0.6802000      -2.237600     -0.6810000    
 N    5.661500       1.596200      0.4628000    
 C   -1.457300      -2.090100       1.324400    
 C   -1.312000      -3.216100      0.2822000    
 C   -1.623500     -0.7270000      0.6976000    
 C  -0.5900000     -0.1868000     -0.1098000    
 C   0.6590000     -0.9812000     -0.3303000    
 C   -2.794300      1.4200000E-02  0.9096000    
 C  -0.7225000       1.070500     -0.7136000    
 C   -2.895900       1.252700      0.3079000    
 C   -2.683500      -3.684500     -0.2122000    
 C   -1.891200       1.764500     -0.4805000    
 C    1.972500     -0.3034000     -0.1228000    
 C   -3.511300       3.197700     -0.4149000    
 C    2.076100      0.7258000      0.8056000    
 C    3.079500     -0.7087000     -0.8593000    
 C    3.304000       1.358600       1.000200    
 C    4.307300     -7.5999998E-02 -0.6646000    
 C    4.419600      0.9577000      0.2651000    
 H  -0.5616000      -2.057800       1.959700    
 H   -2.290900      -2.307800       2.003900    
 H  -0.8246000      -4.069600      0.7702000    
 H   -3.601700     -0.3708000       1.523700    
 H  -0.3761000      -3.646200      -1.472500    
 H   4.9600001E-02   1.488200      -1.350500    
 H   -3.225800      -2.883200     -0.7264000    
 H   -2.583800      -4.524600     -0.9087000    
 H   -3.301000      -4.025400      0.6259000    
 H   -3.493100       4.106700      0.1972000    
 H   -4.226200       3.339100      -1.233600    
 H    1.235400       1.044300       1.414800    
 H    3.013900      -1.505600      -1.594900    
 H    3.380400       2.158700       1.732200    
 H    5.169000     -0.3964000      -1.244800    
 H    6.470000       1.307400     -7.1699999E-02
 H    5.743100       2.347400       1.135000    


%chk=000003539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003539

0 1
O -4.055128 2.092974 0.493368
O -2.167993 3.017700 -0.663344
N -0.117346 -3.364413 -0.175147
N 0.848469 -2.396716 -0.116197
N 5.717032 1.740280 -0.002387
C -1.683927 -2.277656 1.435182
C -1.526714 -3.337460 0.298921
C -1.736863 -0.865834 0.893233
C -0.600487 -0.320819 0.215947
C 0.676143 -1.081098 0.047842
C -2.944574 -0.119889 1.017727
C -0.683520 0.996715 -0.351663
C -2.989194 1.155964 0.458727
C -2.536879 -3.141928 -0.853622
C -1.876004 1.697303 -0.217640
C 1.967823 -0.318487 0.012984
C -3.621636 3.187733 -0.417605
C 2.184421 0.830837 0.822886
C 3.052318 -0.759665 -0.794101
C 3.415863 1.512782 0.824891
C 4.287123 -0.088928 -0.804130
C 4.492647 1.065862 0.006884
H -0.835246 -2.401952 2.135358
H -2.610601 -2.502337 1.992945
H -1.703258 -4.339511 0.744753
H -3.808728 -0.538779 1.541108
H 0.311390 -4.285602 -0.258010
H 0.169530 1.426459 -0.880442
H -2.367038 -2.180622 -1.366267
H -2.435948 -3.952967 -1.596629
H -3.573982 -3.149885 -0.467178
H -3.792206 4.154559 0.079721
H -4.166077 3.091080 -1.376905
H 1.381310 1.189907 1.476244
H 2.907823 -1.652523 -1.410415
H 3.550905 2.392237 1.467239
H 5.100790 -0.451426 -1.445432
H 6.484406 1.416549 -0.583130
H 5.862154 2.563658 0.573785


