%chk=000086013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086013

0 1
 O   -3.381200     -0.4267000     -0.2619000    
 N    1.905100       1.296600     -0.1754000    
 C    3.022600      0.4386000      0.1967000    
 C    2.749300     -0.9964000     -0.2868000    
 C    1.402100      -1.548400      0.2167000    
 C   0.2873000     -0.5420000     -3.2200001E-02
 C   0.5973000      0.8259000     -0.1998000    
 C    3.227900      0.5119000       1.716900    
 C    4.284700      0.9712000     -0.5010000    
 C    1.167200      -2.920500     -0.4293000    
 C   -1.061300     -0.9399000     -3.5200000E-02
 C  -0.4465000       1.738200     -0.4341000    
 C   -2.083700     -1.6200000E-02 -0.2533000    
 C   -1.776100       1.321800     -0.4608000    
 C   -4.363400      0.5161000      0.1653000    
 C   -5.531300     -0.2302000      0.7742000    
 H    3.563100      -1.661700      3.0200001E-02
 H    2.748100      -1.010200      -1.386900    
 H    1.465000      -1.699500       1.302000    
 H    2.050600       2.299900     -0.2003000    
 H    3.473300       1.533500       2.030800    
 H    2.328900      0.2217000       2.270700    
 H    4.046400     -0.1424000       2.036100    
 H    4.163000      0.9783000      -1.590600    
 H    4.504300       2.000900     -0.1951000    
 H    5.159100      0.3556000     -0.2627000    
 H   0.3164000      -3.440000      2.2900000E-02
 H   0.9746000      -2.829200      -1.504100    
 H    2.041000      -3.567700     -0.2948000    
 H   -1.332800      -1.978000      0.1365000    
 H  -0.2244000       2.791500     -0.5944000    
 H   -2.535700       2.069900     -0.6664000    
 H   -3.971100       1.195100      0.9328000    
 H   -4.704500       1.096800     -0.6988000    
 H   -6.310100      0.4630000       1.104000    
 H   -5.963600     -0.9274000      4.8799999E-02
 H   -5.203000     -0.8270000       1.631700    


%chk=000086013-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086013

0 1
O -3.380964 -0.468483 0.297991
N 1.969643 1.304393 -0.251674
C 3.123668 0.446408 0.094914
C 2.767762 -0.994190 -0.361295
C 1.460338 -1.535384 0.270368
C 0.328538 -0.506638 0.131581
C 0.639591 0.875754 -0.100039
C 3.413431 0.496310 1.625356
C 4.356070 0.958457 -0.684954
C 1.117626 -2.917009 -0.338500
C -1.025076 -0.881821 0.253974
C -0.423054 1.811970 -0.205460
C -2.075875 0.058053 0.150419
C -1.772730 1.419899 -0.084029
C -4.501468 0.477416 0.194585
C -5.783588 -0.328715 0.391413
H 3.606174 -1.671065 -0.108476
H 2.660574 -0.990007 -1.464253
H 1.647527 -1.694126 1.354890
H 2.136020 2.311319 -0.287820
H 3.746088 1.509078 1.920786
H 2.506849 0.257408 2.207925
H 4.208262 -0.221086 1.904573
H 4.176589 0.907556 -1.773565
H 4.585380 2.009204 -0.419238
H 5.248041 0.352064 -0.445391
H 0.262560 -3.396669 0.169023
H 0.866090 -2.820753 -1.410793
H 1.982148 -3.601252 -0.245759
H -1.299246 -1.926184 0.433460
H -0.188288 2.868537 -0.388833
H -2.559342 2.175131 -0.172221
H -4.400173 1.264774 0.971878
H -4.486441 0.968682 -0.801810
H -6.666314 0.333367 0.324306
H -5.871989 -1.111379 -0.381517
H -5.785822 -0.817918 1.380584


