%chk=000078424.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078424

0 1
 O   -1.490200      -2.578800      0.1737000    
 N   0.3467000       1.391500     -0.5061000    
 C  -0.9943000       1.083300     -0.2142000    
 C   -1.485600     -0.1739000      0.1761000    
 C    1.568800      0.7522000     -0.2468000    
 C    1.714000     -0.5835000      0.1388000    
 C  -0.6998000      -1.429500      0.1759000    
 C   0.6334000      -1.573700      0.1685000    
 C   -1.892900       2.181100     -0.2592000    
 C   -2.855300     -0.2649000      0.5351000    
 C    2.730600       1.557300     -0.3266000    
 C    3.006800      -1.073500      0.4340000    
 C   -3.235800       2.060200      8.3999999E-02
 C   -3.717300      0.8316000      0.4919000    
 C    3.998600       1.060400     -3.1199999E-02
 C    4.136500     -0.2611000      0.3554000    
 C   -1.764200      -2.978700      -1.149300    
 H   0.4629000       2.319100     -0.9067000    
 H   0.9914000      -2.605200      0.1797000    
 H   -1.530500       3.165200     -0.5554000    
 H   -3.289700      -1.207800      0.8640000    
 H    2.645900       2.604300     -0.6154000    
 H    3.150300      -2.113200      0.7261000    
 H   -3.892100       2.923600      4.2700000E-02
 H   -4.759500      0.7166000      0.7735000    
 H    4.868100       1.706600     -9.9500000E-02
 H    5.116600     -0.6652000      0.5888000    
 H  -0.8481000      -3.261400      -1.680200    
 H   -2.296400      -2.204500      -1.713100    
 H   -2.409500      -3.861800      -1.110700    


%chk=000078424-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078424

0 1
O -1.362658 -2.708186 0.026952
N 0.383771 1.227678 -0.858420
C -0.929123 1.026392 -0.346254
C -1.418526 -0.246953 0.081035
C 1.610903 0.743954 -0.314388
C 1.791871 -0.611452 0.106666
C -0.614148 -1.492653 0.003889
C 0.745191 -1.639147 0.028404
C -1.798812 2.148686 -0.318643
C -2.747748 -0.327198 0.577170
C 2.709256 1.640359 -0.279789
C 3.084548 -1.004569 0.549667
C -3.129580 2.036013 0.136249
C -3.605280 0.792399 0.607033
C 3.986187 1.220698 0.153489
C 4.176620 -0.111743 0.580252
C -2.131880 -2.981628 -1.204272
H 0.490708 2.133822 -1.322487
H 1.095423 -2.679410 0.034553
H -1.419834 3.123234 -0.652682
H -3.096146 -1.301085 0.936516
H 2.560539 2.679416 -0.601524
H 3.226475 -2.045101 0.865859
H -3.779967 2.917689 0.135630
H -4.626493 0.694230 0.988704
H 4.819413 1.931854 0.158288
H 5.159137 -0.452387 0.922288
H -1.443063 -3.153005 -2.053850
H -2.818777 -2.149509 -1.450082
H -2.708605 -3.896097 -0.996451


