%chk=000114047.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114047

0 1
 O   -2.208800     -0.9861000       1.680500    
 O   -4.306300      0.4352000      0.7327000    
 N    3.053400       1.005200      0.3458000    
 C   0.5225000     -0.7993000      0.5961000    
 C    1.562200     -0.6497000     -0.5076000    
 C    1.816300      0.8770000     -0.4075000    
 C    1.272700     -0.2624000       1.910300    
 C   0.1642000      -2.297100      0.7438000    
 C    1.168300      -1.285100      -1.854300    
 C  -0.6927000      0.1103000      0.1401000    
 C   0.8894000       1.602800      -1.360000    
 C    2.773100      0.3114000       1.674400    
 C  -0.2364000      -2.956800     -0.5802000    
 C   0.8285000      -2.763400      -1.658600    
 C  -0.5237000       1.180900     -0.8372000    
 C   -1.972200     -0.1082000      0.6657000    
 C    3.476000       2.388700      0.5259000    
 C   -1.632500       1.911900      -1.275900    
 C   -3.059900      0.6467000      0.2177000    
 C   -2.894200       1.638000     -0.7518000    
 H    2.467500      -1.214600     -0.2322000    
 H    1.279500       1.357100      0.4267000    
 H    1.346200      -1.062300       2.657300    
 H   0.6727000      0.5325000       2.373300    
 H  -0.5870000      -2.497000       1.509200    
 H    1.059500      -2.826300       1.103000    
 H    2.001200      -1.189700      -2.560900    
 H   0.3051000     -0.8065000      -2.325000    
 H    1.035000       1.333800      -2.409400    
 H   0.9989000       2.689800      -1.261600    
 H    3.021600      0.9643000       2.520500    
 H    3.463200     -0.5399000       1.732300    
 H   -1.192600      -2.551300     -0.9301000    
 H  -0.3921000      -4.029500     -0.4168000    
 H    1.735500      -3.313300      -1.378300    
 H   0.4785000      -3.190500      -2.605200    
 H    4.422300       2.425900       1.076100    
 H    2.738300       2.988500       1.071300    
 H    3.654100       2.861500     -0.4459000    
 H   -1.515600       2.708300      -2.005500    
 H   -3.744300       2.222300      -1.095400    
 H   -3.156100     -0.9693000       1.901200    
 H   -4.933500       1.046900      0.3105000    


%chk=000114047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114047

0 1
O -2.194453 -0.866236 1.775708
O -4.274883 0.436721 0.848530
N 3.110330 1.059747 0.310285
C 0.534720 -0.819245 0.616886
C 1.567640 -0.647274 -0.511656
C 1.774304 0.889708 -0.336172
C 1.359812 -0.279955 1.898026
C 0.132748 -2.312815 0.768101
C 1.162240 -1.267404 -1.867395
C -0.649519 0.125449 0.140194
C 0.934770 1.588076 -1.409677
C 2.871108 0.198346 1.588884
C -0.279700 -2.945292 -0.584307
C 0.825730 -2.766957 -1.655446
C -0.488744 1.131052 -0.915430
C -1.947761 -0.010698 0.685969
C 3.385168 2.477841 0.646032
C -1.608655 1.837970 -1.398324
C -3.056649 0.722040 0.176841
C -2.908537 1.630448 -0.876837
H 2.503593 -1.161359 -0.233044
H 1.130809 1.215470 0.509978
H 1.459364 -1.108658 2.626249
H 0.794077 0.516466 2.414998
H -0.663096 -2.439439 1.518575
H 1.032404 -2.847804 1.140588
H 1.992547 -1.158259 -2.592701
H 0.276425 -0.775233 -2.307893
H 1.141643 1.280928 -2.450574
H 0.976357 2.693140 -1.361272
H 3.229424 0.776346 2.463238
H 3.509724 -0.699250 1.511724
H -1.218605 -2.478923 -0.944881
H -0.495756 -4.021774 -0.437886
H 1.737741 -3.309934 -1.328873
H 0.508118 -3.221452 -2.614194
H 4.309633 2.547833 1.245656
H 2.558016 2.975241 1.216402
H 3.545269 3.044989 -0.288539
H -1.461640 2.590762 -2.180920
H -3.766389 2.191742 -1.266791
H -3.163230 -0.806539 1.995437
H -5.028295 0.954885 0.479509


