%chk=000039357.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039357

0 1
 O   -3.688200      5.7599999E-02  -1.159900    
 N   -2.350700     -2.8800000E-02  0.7422000    
 N   -3.598600       1.850100      0.2716000    
 C    1.915200     -0.6067000     -0.3413000    
 C   0.5889000     -0.5646000      0.4241000    
 C    3.015000      0.2454000      0.2962000    
 C  -0.5303000      -1.361300     -0.2546000    
 C    4.316400      0.1556000     -0.5020000    
 C   -1.823800      -1.352800      0.5556000    
 C    5.403100       1.030000      0.1036000    
 C   -3.246900      0.5756000     -0.1356000    
 H    1.744900     -0.2622000      -1.369000    
 H    2.254700      -1.647700     -0.4091000    
 H   0.7494000     -0.9538000       1.437200    
 H   0.2817000      0.4827000      0.5317000    
 H    3.189100     -9.0099998E-02   1.325600    
 H    2.683800       1.289500      0.3476000    
 H  -0.7156000     -0.9455000      -1.252600    
 H  -0.2057000      -2.399400     -0.3927000    
 H    4.664100     -0.8835000     -0.5317000    
 H    4.140800      0.4689000      -1.537700    
 H   -2.576200      -1.967400      4.9500000E-02
 H   -1.654900      -1.780200       1.549700    
 H    5.099100       2.081500      0.1160000    
 H    6.324300      0.9495000     -0.4817000    
 H    5.625200      0.7240000       1.130900    
 H   -2.049100      0.4968000       1.557000    
 H   -3.223200       2.260900       1.119600    
 H   -4.245100       2.414600     -0.2693000    


%chk=000039357-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039357

0 1
O -4.000553 -0.235654 -0.953337
N -2.427032 0.062330 0.758553
N -3.925390 1.793132 0.194838
C 1.950864 -0.544164 -0.378242
C 0.644372 -0.511190 0.447315
C 3.123896 0.201905 0.296476
C -0.517579 -1.272723 -0.228641
C 4.425219 0.175888 -0.537975
C -1.831954 -1.272501 0.587584
C 5.595189 0.916391 0.145279
C -3.476848 0.491577 -0.053678
H 1.760145 -0.102178 -1.378327
H 2.242739 -1.600273 -0.556882
H 0.836022 -0.946087 1.451769
H 0.352340 0.547928 0.610447
H 3.321000 -0.246215 1.293175
H 2.831552 1.257000 0.482493
H -0.723290 -0.841769 -1.227817
H -0.215038 -2.327850 -0.391654
H 4.713687 -0.878091 -0.728454
H 4.228902 0.628033 -1.531551
H -2.590535 -1.884872 0.070367
H -1.654573 -1.715300 1.588185
H 5.342597 1.979264 0.321374
H 6.511540 0.885057 -0.472523
H 5.833016 0.462036 1.125796
H -1.998503 0.704638 1.424739
H -3.569545 2.386224 0.941051
H -4.694842 2.126165 -0.379461


