%chk=000113959.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113959

0 1
 O    1.701700       1.032800     -0.3145000    
 N   -1.675500      0.1956000     -0.2937000    
 C   -2.281700      -1.050600     -0.8167000    
 C   -2.969100      -1.830400      0.3224000    
 C   -2.686300       1.045100      0.3608000    
 C   -4.000800     -0.9800000       1.052000    
 C   -3.370800      0.3227000       1.519000    
 C  -0.9983000      0.9717000      -1.336500    
 C   -1.251500      -1.978200      -1.476800    
 C  -0.3420000       2.209500     -0.7334000    
 C   0.7068000       1.835800      0.3053000    
 C    2.713200      0.6501000      0.6078000    
 C    3.742700     -0.2045000     -0.1179000    
 C    4.854400     -0.6656000      0.8203000    
 C    5.857100      -1.554100      0.1017000    
 H   -3.041900     -0.8006000      -1.570000    
 H   -3.464100      -2.723000     -7.9099998E-02
 H   -2.217100      -2.181400       1.041600    
 H   -2.250600       1.933300      0.8239000    
 H   -3.440600       1.383400     -0.3619000    
 H   -4.841000     -0.7644000      0.3807000    
 H   -4.405000      -1.531100       1.908300    
 H   -2.638800      0.1148000       2.309900    
 H   -4.140500      0.9683000       1.957200    
 H   -1.704600       1.279200      -2.118400    
 H  -0.2193000      0.3810000      -1.828700    
 H   -1.699100      -2.951200      -1.709300    
 H  -0.8835000      -1.570600      -2.423200    
 H  -0.3936000      -2.155000     -0.8185000    
 H   -1.048100       2.948100     -0.3456000    
 H   0.1728000       2.721600      -1.558600    
 H   0.2636000       1.304400       1.154800    
 H    1.172400       2.753200      0.6846000    
 H    2.262800      7.9300001E-02   1.428300    
 H    3.191900       1.545800       1.020700    
 H    4.163800      0.3647000     -0.9560000    
 H    3.240800      -1.071000     -0.5666000    
 H    4.425100      -1.219800       1.663200    
 H    5.375600      0.2046000       1.236000    
 H    5.372200      -2.451300     -0.2959000    
 H    6.328400      -1.020500     -0.7299000    
 H    6.645100      -1.871500      0.7918000    


%chk=000113959-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113959

0 1
O 1.811128 1.097746 -0.257468
N -1.884150 0.366011 -0.209339
C -2.117612 -1.073649 -0.558048
C -2.947986 -1.747995 0.566445
C -3.165723 1.088610 0.013700
C -4.274196 -1.014860 0.853539
C -3.992258 0.471226 1.155888
C -1.030585 1.111645 -1.176455
C -0.795456 -1.848201 -0.749163
C -0.280358 2.291623 -0.515537
C 0.767504 1.815151 0.494400
C 2.835373 0.514445 0.613783
C 3.833254 -0.239404 -0.271326
C 4.981667 -0.884110 0.538708
C 5.984914 -1.641311 -0.358054
H -2.715526 -1.144652 -1.508429
H -3.144398 -2.798749 0.276533
H -2.327581 -1.766611 1.485317
H -2.934704 2.143777 0.247398
H -3.786505 1.091961 -0.923329
H -4.938233 -1.088610 -0.032949
H -4.806788 -1.495575 1.696423
H -3.423260 0.559074 2.101849
H -4.936924 1.036507 1.276054
H -1.634959 1.490908 -2.038607
H -0.264714 0.435924 -1.585628
H -1.003784 -2.933718 -0.767183
H -0.274069 -1.597383 -1.688527
H -0.110031 -1.635770 0.091780
H -0.987607 2.971120 -0.001436
H 0.226314 2.882671 -1.303182
H 0.294088 1.131891 1.232474
H 1.221462 2.675795 1.035081
H 2.361824 -0.175478 1.350551
H 3.350915 1.319445 1.187891
H 4.247843 0.465893 -1.017624
H 3.287134 -1.018696 -0.838196
H 4.558245 -1.581616 1.290215
H 5.517238 -0.098029 1.109673
H 5.481388 -2.451938 -0.917630
H 6.445447 -0.960139 -1.098192
H 6.798269 -2.094727 0.237701


