%chk=000095661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095661

0 1
 O    3.428000     -0.9962000     -0.1731000    
 O  -0.3782000       1.665000     -0.1248000    
 O    2.575300     -0.3989000      -2.219100    
 O   0.4434000       1.097200      -2.193600    
 O    2.770200       2.098400      0.5419000    
 N    1.488800      0.2361000       1.095600    
 N   -2.573300      -1.352400       2.075600    
 C    1.158800     -0.1824000     -0.2511000    
 C   0.3061000      -1.476000     -0.2137000    
 C   -1.020600      -1.348500      0.4894000    
 C   -2.261400     -0.9798000     -0.1017000    
 C   -3.218800     -0.9900000      0.9149000    
 C   -1.244700      -1.571000       1.828600    
 C    2.457500     -0.5173000      -1.003300    
 C   0.3920000      0.9317000     -0.9789000    
 C   -2.663100     -0.6375000      -1.408200    
 C   -4.563300     -0.6736000      0.6894000    
 C    2.268400       1.344100       1.371200    
 C   -4.004600     -0.3187000      -1.648600    
 C   -4.938400     -0.3371000     -0.6144000    
 C    4.655700      -1.377000     -0.8029000    
 C   -1.170100       2.693500     -0.7279000    
 C    2.434500       1.566800       2.850600    
 C    5.615700      -1.882100      0.2531000    
 C   -1.957900       3.405700      0.3509000    
 H   0.1245000      -1.825300      -1.239700    
 H   0.8774000      -2.280500      0.2714000    
 H    1.166400     -0.3300000       1.874600    
 H  -0.5809000      -1.867300       2.628800    
 H   -3.017100      -1.443900       2.978900    
 H   -1.951500     -0.6227000      -2.228500    
 H   -5.290800     -0.6875000       1.493900    
 H   -4.320100     -5.4499999E-02  -2.654400    
 H   -5.975100     -8.6000003E-02 -0.8235000    
 H    5.089000     -0.5088000      -1.311800    
 H    4.460400      -2.168600      -1.534700    
 H   -1.855200       2.254600      -1.460300    
 H  -0.5111000       3.408200      -1.233500    
 H    3.127500       2.394700       3.023900    
 H    1.466200       1.811200       3.296300    
 H    2.837000      0.6657000       3.321900    
 H    5.805400      -1.107100       1.003200    
 H    5.188400      -2.739500      0.7835000    
 H    6.567400      -2.181700     -0.1944000    
 H   -2.571700       4.204100     -7.5099997E-02
 H   -1.284400       3.836800       1.098900    
 H   -2.609800       2.701400      0.8785000    


%chk=000095661-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095661

0 1
O 3.150176 -0.974088 -0.227374
O 0.061970 2.249571 -0.531009
O 2.707424 0.548377 -1.941159
O -0.395973 0.743256 -2.240172
O 2.894635 1.652275 1.015918
N 0.987231 0.332463 1.132777
N -2.315556 -2.335927 2.124947
C 0.928171 -0.018241 -0.285829
C 0.270878 -1.447972 -0.436766
C -0.971499 -1.664297 0.394165
C -2.357611 -1.357496 0.056634
C -3.174344 -1.790596 1.161517
C -0.996346 -2.261161 1.660521
C 2.358048 -0.058514 -0.909126
C 0.122955 1.011422 -1.133462
C -2.991294 -0.783720 -1.080317
C -4.580965 -1.658860 1.167418
C 1.928220 1.178153 1.687976
C -4.393044 -0.656168 -1.081872
C -5.179910 -1.084467 0.028989
C 4.592375 -0.979550 -0.623369
C -0.584358 3.337009 -1.335609
C 1.725482 1.502310 3.163749
C 5.287730 -2.014803 0.253534
C -0.407744 4.628200 -0.545275
H 0.051928 -1.587379 -1.509453
H 1.045240 -2.176809 -0.144349
H 0.216907 -0.031088 1.702925
H -0.170908 -2.675477 2.238095
H -2.607373 -2.748884 3.007860
H -2.395885 -0.446027 -1.934457
H -5.187833 -1.992858 2.016525
H -4.894238 -0.220180 -1.953080
H -6.268994 -0.968572 -0.006011
H 4.976851 0.043421 -0.463215
H 4.658597 -1.218825 -1.700040
H -1.645383 3.065933 -1.484973
H -0.087880 3.367009 -2.321667
H 2.684523 1.385600 3.694947
H 1.421320 2.559951 3.258639
H 0.961117 0.871558 3.649878
H 5.190520 -1.753379 1.321025
H 4.859180 -3.020027 0.097202
H 6.363388 -2.053598 0.001786
H -0.854059 5.470924 -1.104372
H 0.662250 4.842086 -0.384568
H -0.904019 4.562747 0.438296


