%chk=000039637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039637

0 1
 O   -4.004900      -2.618200      0.5135000    
 O   -5.566500     -0.9726000     -0.2921000    
 O    1.412600      0.1068000      -1.716000    
 N   -1.876400       2.270600     -0.5684000    
 C   0.9487000      0.2228000      0.6120000    
 C  -0.3491000      0.8250000      0.1741000    
 C    1.741900       1.078300       1.608200    
 C  -0.5479000       2.122100     -0.2660000    
 C    2.300400       2.409500       1.090500    
 C   0.4168000       3.242600     -0.4381000    
 C    1.251800       3.489600      0.8157000    
 C   -1.625300      0.1663000      0.1275000    
 C   -2.560100       1.100600     -0.3406000    
 C    1.788000     -0.1469000     -0.5738000    
 C   -2.063300      -1.142400      0.4411000    
 C   -3.921700      0.8116000     -0.5168000    
 C   -3.409200      -1.418200      0.2639000    
 C   -4.299400     -0.4794000     -0.1957000    
 C    3.093600     -0.8304000     -0.3524000    
 C   -5.371400      -2.327200      0.1598000    
 C    3.236500      -1.641900      0.7511000    
 C    4.109400     -0.6261000      -1.259700    
 C    4.458400      -2.282000      0.9583000    
 C    5.331200      -1.266300      -1.052600    
 C    5.505700      -2.094300      5.6400001E-02
 H   0.6836000     -0.7088000       1.126300    
 H    2.583900      0.5152000       2.023000    
 H    1.097100       1.292900       2.472000    
 H    2.921100       2.251300      0.2015000    
 H    2.975400       2.801000       1.863000    
 H    1.069600       3.036000      -1.294600    
 H  -0.1279000       4.164800     -0.6768000    
 H    1.783500       4.440200      0.6804000    
 H   0.6049000       3.616400       1.692700    
 H   -2.298000       3.121300     -0.9149000    
 H   -1.378600      -1.901400      0.8037000    
 H   -4.624400       1.551300     -0.8803000    
 H   -5.681000      -3.011800     -0.6383000    
 H   -6.005600      -2.499800       1.036900    
 H    2.439900      -1.836700       1.459700    
 H    3.988300      1.9900000E-02  -2.123900    
 H    4.592800      -2.931800       1.818200    
 H    6.147200      -1.119400      -1.754100    
 H    6.456700      -2.593700      0.2169000    


%chk=000039637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039637

0 1
O -3.648806 -2.803127 0.567873
O -5.346095 -1.354085 -0.289960
O 1.993285 0.950235 -1.496119
N -1.961917 2.364243 -0.547456
C 1.061141 0.557177 0.732492
C -0.285979 1.061024 0.273246
C 1.793707 1.518520 1.739228
C -0.601790 2.343377 -0.187857
C 2.248849 2.894786 1.192367
C 0.259296 3.566707 -0.359439
C 1.120398 3.910054 0.883491
C -1.493314 0.259639 0.189445
C -2.538314 1.110935 -0.327261
C 2.022497 0.251951 -0.439968
C -1.781871 -1.104414 0.507470
C -3.872327 0.676568 -0.545653
C -3.090916 -1.518929 0.283725
C -4.103790 -0.659927 -0.225440
C 3.046065 -0.846940 -0.294448
C -4.982746 -2.777196 -0.073789
C 3.177616 -1.643574 0.875967
C 3.921478 -1.088830 -1.389833
C 4.160105 -2.654705 0.947734
C 4.898852 -2.099946 -1.320066
C 5.022018 -2.886876 -0.148885
H 0.886844 -0.383039 1.288843
H 2.686373 0.991935 2.132408
H 1.107438 1.674354 2.595029
H 2.868654 2.756000 0.284611
H 2.914875 3.345346 1.955738
H 0.933635 3.412600 -1.225005
H -0.383268 4.437531 -0.601343
H 1.588560 4.899775 0.710025
H 0.464080 4.014980 1.770613
H -2.448969 3.184456 -0.902305
H -1.026735 -1.791293 0.898794
H -4.662281 1.324728 -0.932885
H -4.923847 -3.285633 -1.057151
H -5.717801 -3.234619 0.604828
H 2.519118 -1.484919 1.736017
H 3.806381 -0.466557 -2.283529
H 4.252395 -3.262006 1.854743
H 5.563692 -2.278898 -2.172197
H 5.781712 -3.674608 -0.092797


