%chk=000050416.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050416

0 1
 O    2.298800      8.0399998E-02  0.7455000    
 O    1.862200     -0.9895000      -1.239300    
 N  -0.5047000      -1.912700     -0.1016000    
 N   0.4043000      -1.107400      0.5623000    
 C    3.525700      0.5777000      0.1994000    
 C   -1.848600      -1.684500      0.4113000    
 C    3.202100       1.427600      -1.028500    
 C    4.199000       1.424800       1.277100    
 C    4.407400     -0.6116000     -0.1782000    
 C   -2.302000     -0.2594000      0.1644000    
 C   -2.815200      -2.701100     -0.2008000    
 C    1.549400     -0.7015000     -8.8100001E-02
 C   -1.874000      0.3951000     -0.9762000    
 C   -3.133100      0.3519000       1.085400    
 C   -2.291300       1.706500      -1.203600    
 C   -3.550500       1.663300      0.8578000    
 C   -3.129600       2.340500     -0.2867000    
 H   -1.838300      -1.867000       1.495700    
 H    2.355100       2.095300     -0.8319000    
 H    4.063300       2.050000      -1.300000    
 H    2.960100      0.8554000      -1.927500    
 H    4.387700      0.8291000       2.177700    
 H    3.548200       2.251700       1.583800    
 H    5.150600       1.842500      0.9327000    
 H    4.111800      -1.124300      -1.096900    
 H    5.441100     -0.2843000     -0.3421000    
 H    4.416100      -1.362100      0.6209000    
 H  -0.2279000      -2.878200      7.4900001E-02
 H   -3.826800      -2.569400      0.1994000    
 H   -2.501300      -3.727000      2.2100000E-02
 H   -2.876200      -2.595000      -1.290300    
 H   0.2300000     -0.8479000       1.528100    
 H   -1.243000     -7.8000002E-02  -1.722500    
 H   -3.467500     -0.1680000       1.978300    
 H   -1.968500       2.232100      -2.097500    
 H   -4.203900       2.156900       1.571300    
 H   -3.455800       3.361000     -0.4646000    


%chk=000050416-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050416

0 1
O 2.388973 -0.217712 0.765382
O 1.444375 -0.751724 -1.351541
N -0.565075 -2.153412 0.160519
N 0.548627 -1.499425 0.707214
C 3.532712 0.609964 0.199880
C -1.894729 -1.689861 0.625876
C 2.959403 1.821279 -0.563111
C 4.269980 1.045456 1.478681
C 4.421500 -0.282260 -0.689925
C -2.210668 -0.268862 0.150827
C -2.941198 -2.699149 0.091497
C 1.452051 -0.810442 -0.099622
C -1.733477 0.213163 -1.093128
C -3.052524 0.557845 0.935315
C -2.105675 1.498817 -1.545473
C -3.428449 1.842176 0.481562
C -2.956807 2.315860 -0.764914
H -1.952420 -1.696444 1.743868
H 2.271656 2.393694 0.084273
H 3.785520 2.490001 -0.867872
H 2.414289 1.495388 -1.462776
H 4.621527 0.164291 2.043023
H 3.601174 1.634012 2.130208
H 5.144316 1.667893 1.216781
H 3.872383 -0.613434 -1.585313
H 5.313329 0.287593 -1.009475
H 4.762372 -1.169794 -0.127494
H -0.460013 -3.175906 0.163133
H -3.955526 -2.392435 0.395810
H -2.756637 -3.717928 0.484908
H -2.904699 -2.731293 -1.011374
H 0.682140 -1.429068 1.723545
H -1.050782 -0.412176 -1.678824
H -3.414597 0.196783 1.907477
H -1.725340 1.865055 -2.506009
H -4.080276 2.471973 1.098060
H -3.242736 3.312982 -1.119186


