%chk=000131012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131012

0 1
 O  -0.4024000      -1.271900      -1.526300    
 N   -1.025600      0.1848000      0.2043000    
 N    5.356000      0.4813000      0.5110000    
 C   -2.440500      0.1207000      0.1750000    
 C    1.298900     -0.2372000     -0.3238000    
 C    3.602800     -0.9633000     -0.3592000    
 C    3.033300       1.204200      0.5432000    
 C    3.991000      0.2396000      0.2306000    
 C   -3.145100       1.009400     -0.6221000    
 C   -3.094200     -0.8290000      0.9445000    
 C    2.256600      -1.201700     -0.6364000    
 C    1.687100      0.9658000      0.2661000    
 C  -0.1046000     -0.4856000     -0.6128000    
 C   -4.538400      0.9468000     -0.6504000    
 C   -4.487400     -0.8917000      0.9161000    
 C    4.606400      -2.015100     -0.7054000    
 C    3.419200       2.502000       1.175300    
 C   -2.454900       2.038800      -1.457200    
 C   -2.348800      -1.794200       1.808600    
 C   -5.209400     -3.7000000E-03  0.1187000    
 H    1.957600      -2.143300      -1.091200    
 H   0.9634000       1.745400      0.4894000    
 H  -0.6706000      0.5974000       1.063900    
 H   -5.116700       1.630200      -1.266600    
 H   -5.026600      -1.626400       1.508200    
 H    5.334200      -1.629700      -1.427200    
 H    5.129000      -2.358800      0.1934000    
 H    4.135600      -2.893600      -1.160300    
 H    3.900300       2.329900       2.144000    
 H    4.099200       3.060100      0.5232000    
 H    2.549200       3.142500       1.357500    
 H   -1.798800       2.660300     -0.8386000    
 H   -1.862600       1.557900      -2.242500    
 H   -3.167400       2.711500      -1.946900    
 H   -1.733300      -2.459800       1.194700    
 H   -1.708000      -1.260500       2.518400    
 H   -3.026600      -2.423100       2.396100    
 H   -6.294200     -5.2800000E-02  9.6299998E-02
 H    5.649000       1.349000      0.9383000    
 H    6.058500     -0.2106000      0.2896000    


%chk=000131012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131012

0 1
O -0.492810 -0.915854 -1.734151
N -1.073234 0.130719 0.282326
N 5.427745 0.387238 0.537610
C -2.501700 0.062524 0.167156
C 1.297102 -0.098976 -0.307848
C 3.647004 -0.748575 -0.701261
C 3.103987 1.056009 0.921190
C 4.069355 0.230148 0.258398
C -3.178341 0.636860 -0.950054
C -3.224896 -0.547785 1.237818
C 2.274171 -0.889422 -0.965530
C 1.738035 0.875451 0.626354
C -0.140429 -0.328479 -0.663421
C -4.593361 0.553672 -0.984612
C -4.636104 -0.591048 1.170295
C 4.674872 -1.608807 -1.413406
C 3.559425 2.114391 1.909059
C -2.433808 1.345443 -2.061161
C -2.490314 -1.156959 2.420403
C -5.322196 -0.052465 0.059628
H 1.925188 -1.621418 -1.702407
H 1.017309 1.550041 1.106678
H -0.705183 0.326923 1.215894
H -5.123968 0.987398 -1.840453
H -5.195952 -1.063367 1.986235
H 5.388437 -0.997531 -2.003262
H 5.268468 -2.220372 -0.703173
H 4.184289 -2.304016 -2.113697
H 4.098380 1.672202 2.772162
H 4.237760 2.855907 1.439391
H 2.699292 2.672837 2.314379
H -1.639144 2.000723 -1.657431
H -1.930294 0.613706 -2.719119
H -3.121851 1.960736 -2.666049
H -1.714276 -1.872055 2.089011
H -1.984711 -0.391093 3.044538
H -3.191603 -1.695447 3.079745
H -6.415842 -0.099588 0.012573
H 5.746675 1.076438 1.210983
H 6.123725 -0.180513 0.064708


