%chk=000149546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149546

0 1
 O   -3.943300      6.6900000E-02  -1.721000    
 N    1.719400     -0.2980000       1.551000    
 N    5.017000     -0.3316000      -1.035800    
 N   -3.792200     -3.4400001E-02  0.6232000    
 N    5.298700       4.462000     -0.9017000    
 C    2.837400     -0.3094000      0.6738000    
 C    3.434200      0.8976000      0.2956000    
 C    3.331600      -1.527500      0.1963000    
 C    4.537100      0.8388000     -0.5730000    
 C    4.438600      -1.491300     -0.6684000    
 C    2.958400       2.136200      0.7600000    
 C   0.3392000     -0.2311000       1.318900    
 C    2.751600      -2.755400      0.5600000    
 C    5.135500       2.037100     -0.9533000    
 C    4.935100      -2.700800      -1.147000    
 C    4.665300       3.269800     -0.4936000    
 C    3.574600       3.319800      0.3648000    
 C    3.267100      -3.950500      6.7400001E-02
 C    4.361200      -3.922800     -0.7878000    
 C  -0.5592000     -0.2377000       2.391900    
 C  -0.1546000     -0.1580000      1.1400000E-02
 C   -2.417900     -9.9600002E-02  0.8546000    
 C   -1.933200     -0.1723000       2.160600    
 C   -1.528600     -9.2500001E-02 -0.2201000    
 C   -4.457100      4.2599998E-02 -0.6078000    
 C   -5.939000      0.1285000     -0.5274000    
 C   -6.690800     -0.3449000      -1.582100    
 C   -6.513300      0.6781000      0.5995000    
 C   -8.081200     -0.2647000      -1.506700    
 C   -7.903800      0.7583000      0.6748000    
 C   -8.687800      0.2868000     -0.3782000    
 H    1.988200     -0.3455000       2.529500    
 H    2.110700       2.211000       1.436000    
 H    1.898300      -2.813600       1.230600    
 H    5.992000       2.010400      -1.626300    
 H    5.791900      -2.705500      -1.818600    
 H    3.196200       4.269500      0.7330000    
 H    2.818200      -4.897600      0.3506000    
 H    4.771500      -4.849700      -1.177500    
 H  -0.1962000     -0.2941000       3.415300    
 H   0.5159000     -0.1510000     -0.8443000    
 H   -2.614300     -0.1786000       3.007700    
 H   -1.825000     -3.8600001E-02  -1.258000    
 H   -4.351800     -9.1399997E-02   1.469200    
 H    4.959500       5.354900     -0.5690000    
 H    6.093200       4.425300      -1.526200    
 H   -6.235000     -0.7826000      -2.465100    
 H   -5.942900       1.094400       1.423000    
 H   -8.691900     -0.6326000      -2.326000    
 H   -8.376600       1.196300       1.549200    
 H   -9.770500      0.3509000     -0.3203000    


%chk=000149546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149546

0 1
O -3.947220 0.639757 -1.748204
N 1.692152 -1.044615 1.430005
N 5.280910 -0.250889 -0.822391
N -3.825377 0.036178 0.517635
N 4.105943 4.413182 -1.383716
C 2.840466 -0.759095 0.653363
C 3.134213 0.552217 0.169534
C 3.782662 -1.817504 0.411700
C 4.363748 0.748717 -0.601758
C 5.007222 -1.492317 -0.310924
C 2.324983 1.709961 0.446007
C 0.336088 -0.732886 1.156322
C 3.566051 -3.177425 0.823998
C 4.665533 2.044954 -1.126036
C 5.980367 -2.532213 -0.522284
C 3.830315 3.144553 -0.879360
C 2.653843 2.959342 -0.056429
C 4.527834 -4.161160 0.594678
C 5.754374 -3.830499 -0.073462
C -0.624398 -0.905065 2.191364
C -0.115626 -0.302167 -0.120555
C -2.432096 -0.209936 0.678451
C -1.986123 -0.654341 1.952347
C -1.476819 -0.037791 -0.360195
C -4.509208 0.461898 -0.621239
C -5.991188 0.680361 -0.436558
C -6.799474 0.644714 -1.602105
C -6.601083 0.949766 0.818258
C -8.192212 0.844696 -1.514062
C -7.995749 1.154057 0.905238
C -8.796364 1.094587 -0.258892
H 1.834676 -1.719282 2.184255
H 1.433363 1.606260 1.069530
H 2.616203 -3.462124 1.292202
H 5.586436 2.141217 -1.710367
H 6.894520 -2.252677 -1.055102
H 2.021455 3.825762 0.173581
H 4.341986 -5.194193 0.908385
H 6.504431 -4.610977 -0.243920
H -0.299578 -1.228888 3.187597
H 0.600630 -0.184739 -0.938981
H -2.707791 -0.796192 2.767575
H -1.815722 0.285217 -1.345922
H -4.398129 -0.167654 1.339242
H 3.486689 5.195846 -1.195232
H 4.924297 4.574935 -1.963639
H -6.307419 0.465627 -2.563547
H -5.999015 1.050486 1.730349
H -8.806406 0.808050 -2.420358
H -8.454745 1.371411 1.875934
H -9.878248 1.252782 -0.189613


