%chk=000051053.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051053

0 1
 O   -1.949500      -1.826600       1.562100    
 O    2.981500      -2.320800     -0.9795000    
 N   -3.671600     -0.7587000     -0.3231000    
 N    1.831200      -1.161800      0.6844000    
 N  -0.3097000      -1.970100     -7.6700002E-02
 N    2.610600      0.9470000       1.458000    
 C   -2.576000      -1.585300     -0.7606000    
 C   -4.934100      -1.403100      4.8400000E-02
 C   -3.548700      0.6367000     -0.2345000    
 C   0.8114000      -2.191600      0.8092000    
 C   -1.609600      -1.804600      0.3820000    
 C    3.849400     -0.2457000     -0.2977000    
 C    2.859400      -1.346000     -0.2439000    
 C   -5.881800      -1.487600      -1.130200    
 C    3.683200      0.8537000      0.5552000    
 C   -2.344100       1.260400     -0.5739000    
 C   -4.630000       1.413400      0.1928000    
 C    1.766400     -3.1099999E-02   1.478000    
 C    4.928800     -0.3079000      -1.185300    
 C    4.618400       1.893300      0.5047000    
 C   -2.221900       2.647200     -0.4868000    
 C   -4.508000       2.800200      0.2798000    
 C   -3.303900       3.417000     -5.9999999E-02
 C    5.851400      0.7366000      -1.222900    
 C    5.697100       1.835400     -0.3796000    
 H   -2.086000      -1.186500      -1.655800    
 H   -2.936000      -2.580100      -1.054600    
 H   -4.719800      -2.431300      0.3709000    
 H   -5.408200     -0.9553000      0.9280000    
 H    1.232400      -3.168300      0.5499000    
 H   0.4669000      -2.231400       1.847900    
 H  -0.1208000      -1.949600      -1.074100    
 H   -6.165800     -0.4956000      -1.494300    
 H   -5.424500      -2.028400      -1.965700    
 H   -6.796200      -2.017300     -0.8451000    
 H   -1.467600      0.7151000     -0.9073000    
 H   -5.598600       1.003200      0.4551000    
 H   0.9052000     -7.1999999E-03   2.163900    
 H    5.066300      -1.155700      -1.850400    
 H    4.512000       2.757500       1.156100    
 H   -1.284300       3.128000     -0.7499000    
 H   -5.351100       3.401100      0.6081000    
 H   -3.209000       4.496900      7.1999999E-03
 H    6.691500      0.6940000      -1.910000    
 H    6.416900       2.648200     -0.4102000    


%chk=000051053-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051053

0 1
O -1.559044 -2.123531 1.479042
O 2.216687 -1.562326 -1.716554
N -3.491853 -0.710201 -0.251583
N 1.750829 -1.621785 0.572650
N -0.298652 -2.507289 -0.434892
N 2.591578 -0.009216 2.151946
C -2.671434 -1.823352 -0.710826
C -4.625483 -1.030068 0.641938
C -3.130326 0.618354 -0.548940
C 0.907612 -2.822237 0.317733
C -1.470282 -2.141461 0.216232
C 3.251927 0.104187 -0.250729
C 2.403770 -1.055557 -0.563169
C -5.960938 -1.250201 -0.106059
C 3.319571 0.587906 1.100038
C -1.878302 0.930546 -1.166397
C -4.011419 1.705838 -0.253939
C 1.852603 -1.058274 1.850080
C 3.993198 0.746642 -1.277499
C 4.136917 1.714167 1.392455
C -1.536926 2.262505 -1.479042
C -3.650598 3.032133 -0.562322
C -2.414323 3.329470 -1.181737
C 4.797904 1.855315 -0.970566
C 4.867366 2.337901 0.368038
H -2.324686 -1.651638 -1.748695
H -3.298184 -2.735546 -0.733899
H -4.356346 -1.933425 1.218122
H -4.730544 -0.221716 1.387779
H 1.512951 -3.540249 -0.257031
H 0.613871 -3.242316 1.292376
H -0.190820 -2.389443 -1.445384
H -6.254908 -0.349632 -0.673100
H -5.879946 -2.087422 -0.823854
H -6.769313 -1.491891 0.609320
H -1.148673 0.143540 -1.380925
H -4.987701 1.517741 0.202535
H 1.249803 -1.539273 2.627104
H 3.917450 0.354135 -2.296860
H 4.170572 2.069522 2.426478
H -0.565959 2.464483 -1.946632
H -4.350761 3.841231 -0.322620
H -2.141472 4.362235 -1.421208
H 5.372295 2.352232 -1.759332
H 5.495189 3.205267 0.599530


