%chk=000174236.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174236

0 1
 O   0.2644000      -2.938400      0.2748000    
 O   -3.245600       2.551400     -0.4591000    
 N   -1.395200       1.041300     -0.8573000    
 N    1.755800       1.643500      9.5200002E-02
 C   0.8623000     -0.5839000     -9.8999999E-03
 C   -1.463300      -1.280200      5.8300000E-02
 C   -1.150200     -0.3883000      -1.187000    
 C  -0.7847000       1.358000      0.4755000    
 C   -2.415000     -0.4686000      0.9854000    
 C   0.6608000      0.8233000      0.6392000    
 C  -6.2700003E-02  -1.608400      0.6707000    
 C   0.3312000     -0.5682000      -1.446800    
 C   -1.650300      0.7176000       1.597000    
 C   -3.543600      0.1984000      0.1482000    
 C   -2.874600       1.219000     -0.8245000    
 C    2.354700     -0.6203000     -1.2300000E-02
 C    2.820900      0.7158000     -5.7000001E-03
 C   -4.419300     -0.8196000     -0.5832000    
 C    3.225900      -1.692500     -8.5100003E-02
 C    2.009700       2.997000      0.5369000    
 C    4.180900      0.9753000     -8.9800000E-02
 C   -5.122100      -1.743200      0.3917000    
 C    4.593600      -1.425000     -0.1531000    
 C    5.066600     -0.1041000     -0.1592000    
 H   -1.963600      -2.200300     -0.2667000    
 H   -1.717400     -0.6897000      -2.075100    
 H  -0.7890000       2.443300      0.6203000    
 H   -2.816400      -1.096700       1.786600    
 H   0.8702000      0.7450000       1.719300    
 H  -3.2200001E-02  -1.571500       1.763400    
 H   0.5288000      -1.519400      -1.957800    
 H   0.7469000      0.2259000      -2.079300    
 H   -2.351600       1.460200       2.000000    
 H   -1.054700      0.3882000       2.455200    
 H   -4.195500      0.7496000      0.8414000    
 H   -3.256400       1.083400      -1.843800    
 H   -3.855700      -1.410200      -1.311600    
 H   -5.183400     -0.2781000      -1.155000    
 H  -0.3661000      -3.535500      0.7126000    
 H    2.869800      -2.715800     -0.1060000    
 H    2.736000       3.494600     -0.1143000    
 H    2.387000       3.011700       1.565200    
 H    1.096000       3.597100      0.5023000    
 H   -4.215400       2.606500     -0.5067000    
 H    4.570400       1.987600     -9.4099998E-02
 H   -4.422500      -2.424100      0.8850000    
 H   -5.662200      -1.180400       1.159800    
 H   -5.851400      -2.361700     -0.1421000    
 H    5.301100      -2.247800     -0.2126000    
 H    6.135800      8.1200004E-02 -0.2196000    


%chk=000174236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174236

0 1
O 0.398090 -2.959012 0.255926
O -3.144520 2.619249 -0.333984
N -1.421985 1.070922 -0.819217
N 1.782400 1.605630 0.043829
C 0.880488 -0.581963 0.012743
C -1.476481 -1.282209 0.062632
C -1.159743 -0.361987 -1.186324
C -0.796901 1.372516 0.524885
C -2.429543 -0.483093 1.009487
C 0.651719 0.836599 0.640136
C -0.060840 -1.617470 0.671530
C 0.337233 -0.549073 -1.446551
C -1.656383 0.698226 1.656423
C -3.582773 0.174275 0.185834
C -2.896694 1.238904 -0.769091
C 2.398478 -0.650730 0.046452
C 2.872750 0.700601 -0.006178
C -4.493755 -0.804395 -0.593374
C 3.296347 -1.724231 -0.019989
C 1.971052 3.014276 0.380963
C 4.253185 0.978907 -0.102526
C -5.263449 -1.792685 0.309737
C 4.689919 -1.452470 -0.108054
C 5.152973 -0.116693 -0.153107
H -1.959830 -2.224174 -0.259237
H -1.779330 -0.606269 -2.067037
H -0.813344 2.466736 0.651824
H -2.841687 -1.145137 1.792969
H 0.856395 0.756049 1.738848
H -0.051537 -1.557520 1.779600
H 0.548503 -1.513581 -1.938463
H 0.762502 0.277860 -2.035349
H -2.376513 1.427978 2.068988
H -1.020608 0.361445 2.495035
H -4.219810 0.721340 0.914313
H -3.268815 1.097130 -1.807543
H -3.900784 -1.372848 -1.336643
H -5.224581 -0.211422 -1.182762
H -0.234248 -3.632514 0.612559
H 2.916102 -2.749657 0.002812
H 2.768971 3.442800 -0.249773
H 2.247887 3.175677 1.449406
H 1.047367 3.577582 0.168009
H -4.122957 2.755545 -0.274424
H 4.631335 2.006345 -0.128507
H -4.575921 -2.456286 0.865540
H -5.881819 -1.254026 1.052817
H -5.936852 -2.434987 -0.286713
H 5.407107 -2.279947 -0.141505
H 6.229598 0.080784 -0.220645


