%chk=000017546.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017546

0 1
 O  -0.7352000       2.362100      -1.378800    
 N   5.5300001E-02  0.3245000      0.2728000    
 N  -0.9982000       3.753700      0.4622000    
 N   -1.709200       4.698300     -0.2501000    
 C   -1.223100     -0.2088000      0.7285000    
 C    1.160400     -0.5116000      0.7449000    
 C   -1.647800      -1.387900     -0.1451000    
 C    2.376600     -0.3467000     -0.1649000    
 C   -2.998700      -1.949900      0.3028000    
 C    3.537700      -1.229100      0.2985000    
 C   0.2310000       1.703900      0.7305000    
 C   -3.410300      -3.152300     -0.5464000    
 C    4.768200      -1.040400     -0.5884000    
 C  -0.5521000       2.616900     -0.1897000    
 C   -4.767700      -3.692800     -0.1257000    
 C    5.913200      -1.940000     -0.1512000    
 H   -2.011600      0.5509000      0.6466000    
 H   -1.184000     -0.4986000       1.787000    
 H   0.8981000      -1.575200      0.7355000    
 H    1.418400     -0.2771000       1.786500    
 H   -1.720000      -1.063900      -1.191500    
 H  -0.9106000      -2.197100     -0.1145000    
 H    2.106300     -0.6152000      -1.194300    
 H    2.716400      0.6946000     -0.1863000    
 H   -2.942200      -2.249300       1.356500    
 H   -3.764100      -1.167700      0.2294000    
 H    3.228800      -2.281400      0.2806000    
 H    3.794600     -0.9851000       1.336600    
 H    1.270200       2.043300      0.6559000    
 H  -7.5000003E-02   1.827900       1.776800    
 H   -2.661500      -3.947600     -0.4544000    
 H   -3.450900      -2.865300      -1.603600    
 H    5.097000      4.6999999E-03 -0.5524000    
 H    4.514000      -1.264900      -1.630800    
 H   -4.753600      -4.017700      0.9196000    
 H   -5.545600      -2.930900     -0.2386000    
 H   -5.041900      -4.552400     -0.7451000    
 H    6.213100      -1.720600      0.8785000    
 H    5.627300      -2.995100     -0.2087000    
 H    6.782900      -1.788100     -0.7980000    
 H  -0.8159000       3.932300       1.444700    
 H   -2.601600       4.818300      0.2273000    
 H   -1.213200       5.582500     -0.1455000    


%chk=000017546-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017546

0 1
O -0.666175 2.722135 -1.355198
N 0.138676 0.375748 0.397041
N -1.303967 3.637449 0.680382
N -2.152543 4.629975 0.119690
C -1.192228 -0.153957 0.785216
C 1.284472 -0.470772 0.811843
C -1.648978 -1.335505 -0.095803
C 2.501076 -0.354048 -0.131353
C -3.040438 -1.873967 0.307419
C 3.681161 -1.250020 0.308162
C 0.324798 1.794684 0.729387
C -3.508875 -3.054486 -0.573830
C 4.897775 -1.152472 -0.640571
C -0.583474 2.728274 -0.094910
C -4.900483 -3.590496 -0.173774
C 6.078045 -2.046236 -0.202404
H -1.929703 0.663779 0.668583
H -1.220101 -0.455667 1.865236
H 0.944756 -1.522801 0.810755
H 1.604858 -0.246207 1.863254
H -1.658752 -0.992875 -1.147940
H -0.912037 -2.162000 -0.039190
H 2.173206 -0.622479 -1.153610
H 2.848166 0.698067 -0.183309
H -3.023359 -2.197260 1.370012
H -3.787120 -1.054481 0.243443
H 3.344651 -2.307097 0.360323
H 3.998065 -0.974155 1.336417
H 1.365327 2.080105 0.488124
H 0.181392 2.007541 1.825104
H -2.763530 -3.873709 -0.510804
H -3.525253 -2.731088 -1.634304
H 5.232369 -0.096343 -0.695377
H 4.580949 -1.430143 -1.666223
H -4.900962 -3.951905 0.872198
H -5.668225 -2.797732 -0.254134
H -5.213389 -4.430290 -0.821281
H 6.434990 -1.765573 0.806779
H 5.777591 -3.110616 -0.166977
H 6.932231 -1.959531 -0.898929
H -1.265384 3.615336 1.700764
H -2.881792 4.186644 -0.457976
H -1.602285 5.285373 -0.454534


