%chk=000064232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064232

0 1
 O  -0.3939000      -1.376600      0.4060000    
 N   0.3963000      0.6540000     -0.3920000    
 N   -4.384900     -0.1543000     -0.3409000    
 C    1.800100      0.3670000     -0.1930000    
 C    3.705400      -1.183700     -0.8045000    
 C    4.153800       1.268500     -0.4309000    
 C    3.568600     -0.2172000       1.520200    
 C    2.213600     -0.8735000      -1.015700    
 C    2.660000       1.568700     -0.6437000    
 C    2.077000      8.8900000E-02   1.300400    
 C    4.541900      2.7100001E-02  -1.251800    
 C    3.959700      -1.450900      0.6888000    
 C    4.405400      0.9888000       1.060500    
 C  -0.5924000     -0.2612000     -6.8300001E-02
 C   -1.977300      0.2828000     -0.3714000    
 C   -3.079100     -0.7119000     -2.1299999E-02
 C   -5.475700      -1.084000     -4.8900001E-02
 C   -4.687300       1.043700      0.4417000    
 C   -6.704900     -0.1876000     -7.7200003E-02
 C   -6.186300       1.211300      0.2418000    
 H    3.987700      -2.064600      -1.391900    
 H    4.753200       2.127400     -0.7527000    
 H    3.754300     -0.4120000       2.582300    
 H    2.018000     -0.7003000      -2.082400    
 H    1.638400      -1.764500     -0.7434000    
 H    2.378200       2.469400     -8.2300000E-02
 H    2.472800       1.794700      -1.701700    
 H    1.496200     -0.7569000       1.682300    
 H    1.783600      0.9569000       1.906100    
 H    4.381700      0.2191000      -2.319800    
 H    5.609900     -0.1876000      -1.123400    
 H    3.380600      -2.322800       1.017300    
 H    5.017400      -1.691700      0.8512000    
 H    4.147100       1.872900       1.656300    
 H    5.471100      0.7912000       1.229600    
 H   0.1320000       1.554600     -0.7814000    
 H   -2.076700       1.209800      0.2050000    
 H   -2.018900      0.5382000      -1.437500    
 H   -3.009800     -0.9916000       1.038500    
 H   -2.923800      -1.630600     -0.6012000    
 H   -5.370200      -1.535700      0.9459000    
 H   -5.544700      -1.886100     -0.7905000    
 H   -4.159800       1.934000      8.6300001E-02
 H   -4.468700      0.9033000       1.508100    
 H   -7.457500     -0.5158000      0.6468000    
 H   -7.168800     -0.1934000      -1.070500    
 H   -6.395400       1.884100     -0.5983000    
 H   -6.666200       1.628000       1.133200    


%chk=000064232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064232

0 1
O -0.424872 -1.618162 -0.057125
N 0.403821 0.545112 -0.364365
N -4.449552 -0.182289 -0.095694
C 1.853349 0.259274 -0.174900
C 3.891321 -0.979794 -1.058627
C 4.144610 1.369677 -0.140911
C 3.648398 -0.557212 1.430847
C 2.368886 -0.743060 -1.249901
C 2.620925 1.602454 -0.329492
C 2.125640 -0.318494 1.245772
C 4.651160 0.365961 -1.212199
C 4.148492 -1.562868 0.357939
C 4.407798 0.788403 1.275299
C -0.617586 -0.385522 -0.309049
C -2.021396 0.168926 -0.596163
C -3.070001 -0.441757 0.356611
C -5.483578 -0.944337 0.652854
C -4.895848 1.233655 -0.018509
C -6.813802 -0.316725 0.170326
C -6.435497 1.155434 -0.212963
H 4.244345 -1.696783 -1.825702
H 4.673589 2.336576 -0.253144
H 3.828461 -0.971899 2.442168
H 2.165733 -0.329934 -2.258391
H 1.809455 -1.690661 -1.155886
H 2.255202 2.330796 0.424231
H 2.427273 2.029763 -1.335638
H 1.562140 -1.260551 1.364254
H 1.751968 0.396397 2.006131
H 4.491398 0.779217 -2.228696
H 5.741217 0.205982 -1.091239
H 3.619612 -2.529629 0.470198
H 5.230649 -1.759408 0.497062
H 4.071624 1.506217 2.050835
H 5.495524 0.633700 1.421901
H 0.147439 1.514678 -0.564810
H -2.032014 1.274996 -0.547660
H -2.303858 -0.120251 -1.627530
H -2.896558 -0.060250 1.398028
H -2.900516 -1.533093 0.376926
H -5.373036 -0.809961 1.760860
H -5.403608 -2.023673 0.433229
H -4.399850 1.848703 -0.790247
H -4.653558 1.680268 0.982338
H -7.592950 -0.363869 0.951042
H -7.188944 -0.856461 -0.715724
H -6.708256 1.362121 -1.261776
H -6.953051 1.898231 0.419190


