%chk=000114390.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114390

0 1
 O  -0.2070000     -0.6031000      0.9550000    
 N    4.795100      -1.130800     -8.6300001E-02
 C   -1.610700     -0.8531000       1.226900    
 C  -3.2800000E-02  6.5399997E-02 -0.3342000    
 C   -2.250500     -0.7435000     -0.1159000    
 C   -1.332100     -0.2329000      -1.028200    
 C    1.146500     -0.6199000      -1.035800    
 C   -1.714400      -2.253300       1.827400    
 C   -2.129200      0.2021000       2.203300    
 C   0.2903000       1.534400     -6.4199999E-02
 C    2.421600     -0.5297000     -0.1989000    
 C   -3.535200      -1.091700     -0.5068000    
 C   -1.670200     -9.9900000E-02  -2.368900    
 C   -1.014400      -3.280100      0.9587000    
 C   -3.619800      5.3100001E-02   2.438000    
 C    3.582700      -1.244300     -0.8882000    
 C   0.3966000       2.430500      -1.127000    
 C   0.4778000       1.976900       1.244700    
 C   -3.888500     -0.9390000      -1.848100    
 C   -2.959000     -0.4507000      -2.775600    
 C   0.6914000       3.771500     -0.8807000    
 C   0.7724000       3.317900       1.490900    
 C   0.8792000       4.215100      0.4282000    
 C    4.590300      -1.709600       1.242700    
 C    5.919800      -1.785200     -0.7570000    
 H   0.9164000      -1.682600      -1.194300    
 H    1.325700     -0.1871000      -2.028300    
 H   -1.235300      -2.271800       2.814300    
 H   -2.752700      -2.572800       1.963600    
 H   -1.588500      0.1326000       3.155200    
 H   -1.959700       1.216500       1.830500    
 H    2.708700      0.5141000     -2.9500000E-02
 H    2.211100     -0.9814000      0.7749000    
 H   -4.252000      -1.509600      0.1914000    
 H  -0.9569000      0.2710000      -3.096900    
 H   -1.446500      -3.347100     -4.3900002E-02
 H   5.7399999E-02  -3.079400      0.8642000    
 H   -1.111700      -4.271300       1.415600    
 H   -4.213300      0.3861000       1.583000    
 H   -3.922900     -0.9561000       2.724200    
 H   -3.909900      0.7081000       3.268700    
 H    3.747100     -0.7796000      -1.868600    
 H    3.320900      -2.295600      -1.067100    
 H   0.2663000       2.108100      -2.155100    
 H   0.4455000       1.312500       2.101700    
 H   -4.886000      -1.214400      -2.179300    
 H   -3.243000     -0.3474000      -3.819200    
 H   0.7778000       4.469600      -1.708100    
 H   0.9279000       3.662100       2.509300    
 H    1.111500       5.258600      0.6199000    
 H    4.160100      -2.717000       1.201400    
 H    5.545200      -1.780600       1.778300    
 H    3.965400      -1.071400       1.875000    
 H    6.843700      -1.647600     -0.1842000    
 H    5.752700      -2.860100     -0.8910000    
 H    6.094000      -1.337400      -1.741800    


%chk=000114390-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114390

0 1
O -0.262042 -0.588263 1.030344
N 4.917843 -1.247722 -0.106705
C -1.728802 -0.882029 1.228349
C -0.031484 0.103070 -0.277108
C -2.289263 -0.749862 -0.182475
C -1.323723 -0.181498 -1.045510
C 1.195703 -0.581227 -0.947394
C -1.822143 -2.309345 1.822474
C -2.284438 0.195943 2.209763
C 0.239701 1.607331 -0.031946
C 2.486458 -0.545819 -0.102336
C -3.550173 -1.139687 -0.675731
C -1.601738 -0.016035 -2.417378
C -1.174035 -3.408294 0.957314
C -3.778242 0.070221 2.579495
C 3.590854 -1.406233 -0.749501
C 0.126004 2.558988 -1.076709
C 0.674745 2.048757 1.242589
C -3.841514 -0.954188 -2.048818
C -2.869972 -0.400052 -2.915519
C 0.434392 3.919759 -0.851963
C 0.982629 3.408276 1.469627
C 0.864940 4.351576 0.423242
C 4.944708 -1.699710 1.298997
C 5.987048 -1.883837 -0.902404
H 0.912193 -1.632548 -1.153144
H 1.374950 -0.091256 -1.926435
H -1.338003 -2.285916 2.818504
H -2.890084 -2.548266 1.993818
H -1.666518 0.141477 3.127558
H -2.098715 1.189421 1.760894
H 2.859529 0.490091 -0.002655
H 2.245848 -0.914285 0.911607
H -4.291620 -1.602416 -0.015006
H -0.844234 0.375584 -3.105421
H -1.670403 -3.494689 -0.026244
H -0.108116 -3.179916 0.785656
H -1.243223 -4.389981 1.460671
H -4.424854 0.144578 1.686657
H -4.002417 -0.882714 3.092365
H -4.066187 0.889162 3.263575
H 3.703376 -1.103557 -1.810227
H 3.261815 -2.481935 -0.754351
H -0.219247 2.251975 -2.069386
H 0.758079 1.313608 2.048661
H -4.816997 -1.256776 -2.445680
H -3.095354 -0.279554 -3.980993
H 0.333989 4.641375 -1.670963
H 1.316610 3.730129 2.462831
H 1.103711 5.406692 0.598310
H 4.688345 -2.785208 1.417197
H 5.955422 -1.539892 1.715638
H 4.234427 -1.112804 1.904510
H 6.969542 -1.675268 -0.441560
H 5.877532 -2.996410 -0.989622
H 5.992051 -1.461719 -1.923560


