%chk=000164882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164882

0 1
 O   0.4709000      0.3002000      -1.800900    
 N   0.3526000      0.2655000     -0.5294000    
 N  -0.7216000      0.3751000      0.1474000    
 C    1.559000      8.2199998E-02  0.2775000    
 C   -1.917400      0.5583000     -0.6868000    
 C    2.168700      -1.256900     -0.1161000    
 C    2.485400       1.253800     -1.9700000E-02
 C    3.526500      -1.453300      0.5548000    
 C    3.843300       1.056000      0.6508000    
 C   -2.488100     -0.8113000      -1.056900    
 C   -2.928500       1.418200      7.2400004E-02
 C    4.468900     -0.2849000      0.2704000    
 C   -3.116800      -1.531300      0.1358000    
 C   -3.555200      0.6854000       1.258400    
 C   -4.147800     -0.6571000      0.8425000    
 H    1.290900      7.5099997E-02   1.341900    
 H   -1.685000       1.110200      -1.607000    
 H    2.306900      -1.328400      -1.202700    
 H    1.495800      -2.076400      0.1646000    
 H    2.034600       2.191100      0.3287000    
 H    2.647400       1.370800      -1.099000    
 H   -1.715400      -1.451800      -1.497900    
 H   -3.258800     -0.6749000      -1.826600    
 H   -3.729200       1.717700     -0.6161000    
 H   -2.452500       2.340400      0.4267000    
 H    3.980100      -2.387200      0.2045000    
 H    3.386600      -1.552700       1.638300    
 H    3.722500       1.105300       1.740000    
 H    4.517800       1.871800      0.3673000    
 H    5.405100     -0.4242000      0.8226000    
 H    4.725200     -0.2764000     -0.7962000    
 H   -2.333500      -1.821300      0.8467000    
 H   -3.593100      -2.457500     -0.2052000    
 H   -4.337700       1.310600       1.703100    
 H   -2.798100      0.5257000       2.035800    
 H   -5.002100     -0.4882000      0.1755000    
 H   -4.531100      -1.180300       1.725800    


%chk=000164882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164882

0 1
O 0.408153 0.137930 -1.886012
N 0.314053 0.232974 -0.571978
N -0.772696 0.468142 0.129686
C 1.597988 0.080288 0.224938
C -2.002371 0.655838 -0.704917
C 2.227153 -1.299668 -0.067145
C 2.559234 1.235007 -0.137909
C 3.569326 -1.450451 0.688808
C 3.899406 1.077524 0.619416
C -2.586971 -0.720242 -1.146098
C -3.018225 1.449194 0.147712
C 4.545335 -0.300807 0.342987
C -3.138312 -1.535714 0.047200
C -3.551528 0.622604 1.341218
C -4.165140 -0.716307 0.866061
H 1.286646 0.153117 1.281812
H -1.726919 1.218660 -1.621653
H 2.390755 -1.384229 -1.157897
H 1.524059 -2.102096 0.227222
H 2.086490 2.205246 0.106031
H 2.733090 1.212854 -1.230405
H -1.814719 -1.285285 -1.699360
H -3.409487 -0.511735 -1.860541
H -3.863409 1.736917 -0.510804
H -2.548381 2.385207 0.504112
H 4.022364 -2.428882 0.440001
H 3.382030 -1.454639 1.782645
H 3.725831 1.189638 1.709730
H 4.586877 1.891881 0.321437
H 5.481651 -0.407064 0.923606
H 4.820359 -0.365776 -0.729646
H -2.300354 -1.830895 0.709798
H -3.600907 -2.470171 -0.325879
H -4.300651 1.212655 1.903805
H -2.711482 0.413715 2.032266
H -5.056082 -0.510512 0.235573
H -4.516863 -1.305616 1.735179


