%chk=000163059.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163059

1 1
 O  -0.6192000     -0.2159000     -0.2035000    
 N   -5.271700      -1.229300     -0.1654000    
 N   -1.338500       2.487200      0.4428000    
 N    4.028500      0.9499000     -0.2052000    
 C   -4.337500     -0.3597000     -2.4300000E-02
 C   -4.970700      -2.645200     -0.4994000    
 C   -6.702500     -0.8651000     -1.9000000E-03
 C   -1.943600      0.1615000     -4.3699998E-02
 C   -2.920700     -0.7395000     -0.1900000    
 C   -2.253000       1.579000      0.2913000    
 C   -4.655500       1.041500      0.3073000    
 C   0.3341000      0.7598000     -3.9000001E-02
 C  -4.4999998E-03   2.081000      0.2761000    
 C   -3.680500       1.941300      0.4533000    
 C    2.678600       1.326200     -4.5299999E-02
 C    1.667600      0.3798000     -0.1997000    
 C   -4.765600      -3.427400      0.7801000    
 C   -7.256800     -0.4077000      -1.334100    
 C    1.020000       3.021000      0.4284000    
 C    2.355500       2.645500      0.2683000    
 C    4.714200     -0.2599000      1.7899999E-02
 C    5.835200     -0.6004000     -0.7428000    
 C    4.263500      -1.128500       1.014600    
 C    6.501700      -1.803100     -0.5078000    
 C    6.342000      0.3072000      -1.816000    
 C    4.930200      -2.331000       1.249500    
 C    6.049200      -2.668200      0.4884000    
 H   -5.841200      -3.047600      -1.031700    
 H   -4.143700      -2.727000      -1.208800    
 H   -7.235500      -1.768200      0.3196000    
 H   -6.846800     -0.1473000      0.8092000    
 H   -2.619100      -1.755200     -0.4104000    
 H   -5.669100       1.402200      0.4181000    
 H   -3.913300       2.974800      0.6876000    
 H    1.893100     -0.6494000     -0.4661000    
 H   -3.909300      -3.059900       1.355200    
 H   -5.646200      -3.379400       1.430300    
 H   -4.582200      -4.481600      0.5481000    
 H   -6.752000      0.4907000      -1.704200    
 H   -7.158200      -1.183000      -2.102100    
 H   -8.321800     -0.1734000      -1.234900    
 H   0.7840000       4.053700      0.6733000    
 H    3.135200       3.392800      0.3925000    
 H    4.626800       1.715500     -0.5013000    
 H    3.409700     -0.8836000       1.640400    
 H    7.376100      -2.081000      -1.090500    
 H    7.148500     -0.1577000      -2.393800    
 H    5.543600      0.5540000      -2.523900    
 H    6.739100       1.229500      -1.379800    
 H    4.581500      -3.002400       2.028800    
 H    6.569100      -3.603800      0.6725000    


%chk=000163059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163059

1 1
O -0.611417 -0.172678 -0.059516
N -5.326854 -1.259258 -0.144475
N -1.260547 2.616118 0.229500
N 4.107037 0.975625 0.037731
C -4.321797 -0.327246 -0.054895
C -5.047168 -2.697752 -0.408616
C -6.764380 -0.903513 0.020534
C -1.951066 0.251614 -0.015088
C -2.937502 -0.717670 -0.111471
C -2.236892 1.665274 0.140075
C -4.627269 1.088032 0.097687
C 0.404524 0.792292 0.046484
C 0.039999 2.188889 0.181742
C -3.623068 2.037095 0.189671
C 2.770764 1.314981 0.090750
C 1.720638 0.348808 0.001239
C -4.760751 -3.503874 0.877614
C -7.437192 -0.475642 -1.301595
C 1.115616 3.137281 0.255605
C 2.436085 2.718819 0.210119
C 4.712932 -0.321591 0.091070
C 5.873818 -0.553434 -0.709604
C 4.221395 -1.319896 0.972087
C 6.496092 -1.820621 -0.615267
C 6.420095 0.518067 -1.636174
C 4.858842 -2.574293 1.038339
C 5.997013 -2.829439 0.239053
H -5.934318 -3.111871 -0.919112
H -4.209967 -2.781214 -1.123285
H -7.271546 -1.796870 0.426085
H -6.862998 -0.117650 0.788373
H -2.631978 -1.760763 -0.206758
H -5.666650 1.420512 0.122234
H -3.853778 3.100974 0.295688
H 1.929754 -0.713241 -0.137718
H -3.872753 -3.121687 1.409696
H -5.617842 -3.464493 1.572570
H -4.581149 -4.562855 0.621622
H -6.968182 0.429629 -1.724578
H -7.376294 -1.276610 -2.059243
H -8.505268 -0.259461 -1.123493
H 0.850413 4.193594 0.352971
H 3.245817 3.454250 0.276283
H 4.759682 1.757746 -0.074544
H 3.378221 -1.101063 1.634411
H 7.383364 -2.018769 -1.226637
H 7.254122 0.123538 -2.237958
H 5.649653 0.891698 -2.336185
H 6.819381 1.390989 -1.079508
H 4.482655 -3.338919 1.725304
H 6.499018 -3.800749 0.289181


