%chk=000057822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057822

0 1
 O   0.5315000       1.343800     -0.1288000    
 O    1.703100     -0.7238000      0.6361000    
 O    1.579600       2.353300      -1.912600    
 N   -4.205200       1.334900      0.8830000    
 N    6.440500     -0.3088000       1.342100    
 C   -3.196100       1.790000     -6.5600000E-02
 C   -1.811400       1.319800      0.3684000    
 C   -4.553600     -6.4999998E-02  0.6332000    
 C   -5.400800       2.176500      0.8075000    
 C  -0.7319000       1.799100     -0.5928000    
 C   -5.555900     -0.5723000       1.656200    
 C   -6.049800       2.086700     -0.5632000    
 C    2.862200       1.157200     -0.2972000    
 C    1.608700       1.692800     -0.8858000    
 C    2.858200     -2.7799999E-02  0.4386000    
 C    4.054400       1.855600     -0.4884000    
 C    4.046300     -0.5146000      0.9832000    
 C    1.661300      -2.061700      0.1446000    
 C    5.238600      0.1837000      0.7922000    
 C    5.242600       1.368800      5.6400001E-02
 C   0.2542000      -2.391400     -0.2593000    
 C  -0.6254000      -2.947900      0.6692000    
 C  -0.1740000      -2.141700      -1.563000    
 C   -1.933400      -3.254500      0.2940000    
 C   -1.482000      -2.448200      -1.938200    
 C   -2.361800      -3.004600      -1.009700    
 H   -3.166800       2.887500     -9.5799997E-02
 H   -3.396600       1.447500      -1.088800    
 H   -1.582300       1.686200       1.377700    
 H   -1.751900      0.2279000      0.4294000    
 H   -4.904900     -0.2661000     -0.3850000    
 H   -3.659000     -0.6828000      0.7635000    
 H   -5.122300       3.219900       1.005200    
 H   -6.123600       1.936900       1.594500    
 H  -0.9180000       1.397300      -1.595900    
 H  -0.7292000       2.894500     -0.6395000    
 H   -5.616600      -1.665000       1.597800    
 H   -6.566600     -0.1925000       1.479400    
 H   -5.255400     -0.3185000       2.678600    
 H   -6.884700       2.797100     -0.5995000    
 H   -6.484200       1.105500     -0.7736000    
 H   -5.382500       2.364900      -1.383600    
 H    4.075400       2.782100      -1.056200    
 H    4.044700      -1.433800       1.564400    
 H    2.000800      -2.744700      0.9328000    
 H    2.331800      -2.194900     -0.7155000    
 H    6.165200       1.922300     -9.8899998E-02
 H  -0.3045000      -3.144300       1.688700    
 H   0.5010000      -1.704300      -2.294000    
 H    7.304900      0.1979000       1.205000    
 H    6.438200      -1.167200       1.876700    
 H   -2.619400      -3.685100       1.017500    
 H   -1.816300      -2.251300      -2.952600    
 H   -3.381200      -3.240700      -1.300900    


%chk=000057822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057822

0 1
O 0.412403 1.465311 0.222275
O 1.799725 -0.815503 0.074870
O 1.609805 3.449575 0.123480
N -4.513383 1.177317 0.353446
N 6.676434 -0.504658 -0.161938
C -3.356008 2.109705 0.326096
C -2.007291 1.355328 0.326098
C -4.804543 0.582085 -0.976687
C -5.698365 1.726165 1.063553
C -0.816147 2.312927 0.274352
C -5.747806 -0.633800 -0.907108
C -6.411891 2.933794 0.393966
C 2.849912 1.370223 0.062651
C 1.610502 2.184917 0.135523
C 2.970238 -0.060104 0.032743
C 4.059444 2.121841 0.012572
C 4.244686 -0.670192 -0.042714
C 1.899027 -2.280393 0.072277
C 5.431423 0.110829 -0.088819
C 5.324200 1.532159 -0.059946
C 0.494060 -2.850757 0.175988
C -0.620549 -2.012361 0.408320
C 0.302124 -4.249568 0.051401
C -1.916533 -2.567820 0.517714
C -0.992099 -4.803824 0.163824
C -2.106600 -3.963460 0.397876
H -3.409201 2.745386 1.231815
H -3.394302 2.805329 -0.550877
H -1.955369 0.733298 1.237808
H -1.950349 0.672772 -0.541904
H -5.221749 1.336787 -1.691371
H -3.841857 0.250549 -1.407273
H -5.364992 2.018814 2.077854
H -6.426219 0.905978 1.204441
H -0.835684 2.962183 -0.621332
H -0.758901 2.966661 1.164888
H -5.832586 -1.106060 -1.903026
H -6.766913 -0.355837 -0.582822
H -5.352167 -1.382244 -0.197084
H -7.252766 3.275821 1.025871
H -6.823443 2.668371 -0.596866
H -5.720790 3.786074 0.260481
H 3.955785 3.211575 0.033506
H 4.334894 -1.760086 -0.069995
H 2.518667 -2.610809 0.933810
H 2.392609 -2.622921 -0.861938
H 6.225758 2.153709 -0.094721
H -0.451477 -0.936550 0.491002
H 1.160125 -4.909468 -0.134084
H 7.525977 0.051346 -0.196688
H 6.763903 -1.516574 -0.181072
H -2.773596 -1.907156 0.698358
H -1.131428 -5.886574 0.066653
H -3.110796 -4.393909 0.484251


