%chk=000053695.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053695

1 1
 O   -4.322000      -1.040300       2.592200    
 N   -1.106100      -1.032700      0.7724000    
 N   -2.058300      -2.165600      -1.196100    
 N   0.2389000      -2.281800     -0.8697000    
 N    1.804600       1.671700     -0.6259000    
 N   -1.283600       1.247400      -1.371200    
 C   7.6300003E-02 -0.6883000       1.567500    
 C    1.002100      0.1292000      0.7538000    
 C  -0.9798000      -1.798500     -0.3885000    
 C    2.411700     -4.3699998E-02  0.6647000    
 C   0.6588000       1.191300     -5.0500002E-02
 C   -2.420700     -0.5633000       1.215400    
 C   -1.542000      -2.957800      -2.311800    
 C  -2.2700001E-02  -3.035200      -2.095600    
 C    2.890500      0.9365000     -0.2072000    
 C    3.329000     -0.9429000       1.243900    
 C   -3.065300      -1.552000       2.168900    
 C  -0.6300000       1.785100     -0.3199000    
 C    4.246300       1.063000     -0.5300000    
 C    4.688200     -0.8283000      0.9302000    
 C    5.137500      0.1600000      5.6499999E-02
 C   -1.117800       2.818300      0.4589000    
 C   -2.366700       3.337400      0.1362000    
 C   -2.494400       1.777600      -1.654800    
 C   -3.074700       2.812800     -0.9395000    
 H   0.5302000      -1.622000       1.915800    
 H  -0.2258000     -0.1290000       2.460600    
 H   -3.069800     -0.3647000      0.3571000    
 H   -2.311700      0.4049000       1.717600    
 H   -1.789000      -2.456500      -3.251800    
 H   -2.002400      -3.949400      -2.291600    
 H   0.3134000      -4.067000      -1.961800    
 H   0.5245000      -2.574200      -2.922500    
 H   -3.029800      -1.932200      -1.014900    
 H    1.135200      -2.177900     -0.4063000    
 H    1.852200       2.452800      -1.266100    
 H    2.997600      -1.719500       1.927100    
 H   -2.440800      -1.707300       3.054000    
 H   -3.221300      -2.524600       1.691600    
 H    4.597100       1.832000      -1.210000    
 H    5.400300      -1.519000       1.373900    
 H    6.197600      0.2309000     -0.1733000    
 H  -0.5586000       3.220500       1.297400    
 H   -4.875600     -0.9310000       1.800200    
 H   -2.787900       4.148600      0.7223000    
 H   -3.006000       1.331800      -2.501400    
 H   -4.050300       3.200900      -1.208600    


%chk=000053695-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053695

1 1
O -4.749295 -1.908235 1.601371
N -1.274832 -1.271437 0.445551
N -1.666082 -2.970187 -1.220289
N 0.454199 -2.403480 -0.809464
N 1.794755 2.023692 -0.423522
N -1.821900 1.981083 0.463441
C -0.318239 -0.524686 1.348020
C 0.713053 0.333717 0.662387
C -0.845368 -2.160467 -0.475835
C 2.121152 -0.006581 0.556292
C 0.544921 1.605323 0.066397
C -2.728570 -1.091042 0.683423
C -0.907270 -3.742383 -2.237292
C 0.576476 -3.497552 -1.806671
C 2.772231 1.068906 -0.143907
C 2.907758 -1.109948 1.002748
C -3.300227 -2.066932 1.732164
C -0.637860 2.475003 -0.038550
C 4.154616 1.065908 -0.428956
C 4.287433 -1.116301 0.722247
C 4.902842 -0.044265 0.008690
C -0.567986 3.778864 -0.608230
C -1.727545 4.576708 -0.667156
C -2.931162 2.769220 0.405417
C -2.940484 4.067754 -0.150798
H 0.191774 -1.266779 1.992638
H -0.965109 0.098587 1.983382
H -3.292209 -1.214798 -0.260028
H -2.870879 -0.044934 0.990540
H -1.111578 -3.357192 -3.252090
H -1.174833 -4.810465 -2.201477
H 1.025824 -4.394233 -1.345028
H 1.204871 -3.184705 -2.655768
H -2.679123 -2.997310 -1.136375
H 1.251497 -1.856800 -0.471473
H 1.970609 2.902958 -0.904666
H 2.469264 -1.922324 1.595183
H -2.942460 -1.800985 2.748395
H -2.988757 -3.111819 1.513367
H 4.636294 1.894292 -0.958743
H 4.907554 -1.948619 1.070669
H 5.979092 -0.080083 -0.187785
H 0.371281 4.186786 -0.995340
H -5.220402 -2.346952 2.352413
H -1.684363 5.579453 -1.103212
H -3.848959 2.337349 0.821476
H -3.863101 4.653894 -0.174356


