%chk=000139080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139080

0 1
 O    1.163200       3.374800      -1.282500    
 N    1.636200     -0.5753000      0.1154000    
 N    3.854600      -2.423100      0.2678000    
 N   0.7778000       3.955300     -8.0300003E-02
 C   0.6606000      0.3397000      0.7043000    
 C    3.005400     -0.1040000      0.3572000    
 C    1.461800      -1.934000      0.6433000    
 C    4.029500      -1.063800     -0.2582000    
 C    2.485100      -2.894000      2.6900001E-02
 C   0.7934000       1.721700      0.1112000    
 C  -0.7889000     -6.6100001E-02  0.5050000    
 C    4.829500      -3.337800     -0.3229000    
 C    1.166700       2.023900      -1.147200    
 C   0.5602000       2.927800      0.7456000    
 C   -1.570900     -0.3248000       1.614000    
 C   -1.286500     -0.1664000     -0.7799000    
 C   -3.425900     -0.8061000      0.1426000    
 C   -2.902200     -0.6986000       1.431100    
 C   -2.617900     -0.5400000     -0.9629000    
 C   -4.849300      -1.205600     -5.3399999E-02
 C    1.553000       1.250900      -2.335000    
 C   0.1313000       3.184800       2.130300    
 C   -4.987900      -2.531200     -0.8256000    
 C   -5.678900     -0.1082000     -0.7467000    
 H   0.8602000      0.4168000       1.783500    
 H    3.197000     -2.2500001E-02   1.436800    
 H    3.212900      0.8821000     -6.6399999E-02
 H   0.4709000      -2.332400      0.3987000    
 H    1.559200      -1.946400       1.737600    
 H    3.936500      -1.050900      -1.352600    
 H    5.034600     -0.7004000     -1.1400000E-02
 H    2.348500      -3.882700      0.4816000    
 H    2.290600      -2.999300      -1.049300    
 H    4.720100      -3.414800      -1.410700    
 H    4.724600      -4.340600      0.1060000    
 H    5.850200      -3.006900     -0.1016000    
 H   -1.174400     -0.2451000       2.621700    
 H  -0.6927000      5.4000001E-03  -1.665800    
 H   -3.517500     -0.9024000       2.303300    
 H   -3.003600     -0.6227000      -1.975200    
 H   -5.310300      -1.369100      0.9303000    
 H    1.389300      0.1762000      -2.258100    
 H   0.9872000       1.598500      -3.206400    
 H    2.615400       1.406000      -2.551200    
 H   0.8088000       2.701700       2.841700    
 H   0.1188000       4.255500       2.360700    
 H  -0.8780000       2.796300       2.298900    
 H   -4.623800      -2.445800      -1.855100    
 H   -6.037200      -2.842500     -0.8681000    
 H   -4.420100      -3.329000     -0.3340000    
 H   -5.608800      0.8375000     -0.1978000    
 H   -6.735200     -0.3949000     -0.7890000    
 H   -5.341400      7.3799998E-02  -1.772800    


%chk=000139080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139080

0 1
O 1.264735 3.602310 -1.318301
N 1.680811 -0.535207 0.119946
N 3.795517 -2.535310 0.224917
N 0.828190 4.165563 -0.032183
C 0.698748 0.454624 0.676387
C 3.081762 -0.174547 0.480415
C 1.409689 -1.932267 0.559973
C 4.075116 -1.140248 -0.183467
C 2.399283 -2.899441 -0.107376
C 0.900150 1.836189 0.071223
C -0.754892 -0.007589 0.487104
C 4.776204 -3.491578 -0.321015
C 1.285974 2.201702 -1.212851
C 0.624453 3.083438 0.754566
C -1.578446 -0.254792 1.609056
C -1.309844 -0.182639 -0.806549
C -3.480369 -0.846347 0.157439
C -2.922382 -0.664734 1.445874
C -2.645459 -0.599725 -0.966638
C -4.933731 -1.296476 -0.014513
C 1.702960 1.459973 -2.442302
C 0.155098 3.282040 2.169269
C -5.022710 -2.679194 -0.714984
C -5.775360 -0.238017 -0.776412
H 0.858619 0.552988 1.782778
H 3.228047 -0.212729 1.588873
H 3.287781 0.856176 0.144782
H 0.381207 -2.208974 0.275270
H 1.501431 -2.031227 1.670511
H 4.011418 -1.015744 -1.296605
H 5.103739 -0.876885 0.127215
H 2.204990 -3.926380 0.255163
H 2.223089 -2.885719 -1.214660
H 4.776034 -3.536670 -1.440326
H 4.559794 -4.505417 0.061222
H 5.792889 -3.211852 0.009135
H -1.165375 -0.133816 2.618828
H -0.686468 0.002113 -1.687672
H -3.544435 -0.849522 2.330652
H -3.047463 -0.729692 -1.978912
H -5.370142 -1.405525 0.999112
H 1.812013 0.392303 -2.191662
H 0.953578 1.572666 -3.248050
H 2.662152 1.847774 -2.830726
H 0.879009 2.864979 2.893657
H 0.033265 4.357113 2.378710
H -0.814997 2.779176 2.335525
H -4.609323 -2.631856 -1.739672
H -6.075521 -3.009217 -0.790889
H -4.457302 -3.447416 -0.157357
H -5.745178 0.740819 -0.265158
H -6.830738 -0.560472 -0.848778
H -5.395912 -0.093423 -1.805144


