%chk=000030256.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030256

0 1
 O   -6.093600     -0.7909000     -5.7799999E-02
 O  -3.4299999E-02   1.088800      0.7764000    
 O    5.477700      -1.828600     -0.3946000    
 N   -3.439000      0.2020000     -0.3193000    
 C   -3.807100     -0.7349000      0.7511000    
 C   -4.603600       1.012500     -0.7017000    
 C   -2.327500       1.054700      9.7000003E-02
 C   -4.975700      -1.605300      0.2978000    
 C   -5.754100      0.1013000      -1.120000    
 C   -1.091900      0.2198000      0.3931000    
 C    1.240600      0.6716000      0.4965000    
 C    2.232000       1.612200      0.2419000    
 C    1.529700     -0.6881000      0.4716000    
 C    3.828000     -0.1746000     -6.8700001E-02
 C    3.530000       1.187700     -4.1800000E-02
 C    2.827800      -1.112600      0.1881000    
 C    5.181400     -0.6176000     -0.3641000    
 C    6.279600      0.4022000     -0.6455000    
 H   -4.087000     -0.1885000       1.661100    
 H   -2.996100      -1.425200      0.9966000    
 H   -4.350200       1.671800      -1.539700    
 H   -4.923300       1.639900      0.1406000    
 H   -2.585500       1.663200      0.9742000    
 H   -2.078400       1.766000     -0.7013000    
 H   -4.701500      -2.241900     -0.5525000    
 H   -5.290700      -2.262500       1.114900    
 H   -6.641200      0.7013000      -1.346700    
 H   -5.506300     -0.4769000      -2.018500    
 H  -0.8407000     -0.3528000     -0.5100000    
 H   -1.247600     -0.4629000       1.232600    
 H    2.003500       2.674100      0.2621000    
 H   0.7884000      -1.449500      0.6937000    
 H    4.277500       1.950600     -0.2355000    
 H    3.037200      -2.179000      0.1791000    
 H    6.432200       1.043800      0.2262000    
 H    6.030800      0.9910000      -1.532200    
 H    7.217100     -0.1272000     -0.8436000    


%chk=000030256-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030256

0 1
O -6.302098 -0.803649 0.273460
O -0.011552 1.153627 0.041282
O 5.690270 -1.845289 -0.532451
N -3.608512 0.186310 -0.174034
C -3.978662 -0.502585 1.091306
C -4.790588 0.886202 -0.742010
C -2.417220 1.055053 -0.036983
C -5.127364 -1.491558 0.832788
C -5.927014 -0.122857 -0.977436
C -1.135650 0.226049 -0.196696
C 1.288764 0.653560 -0.049721
C 2.322247 1.595143 0.194968
C 1.610446 -0.695314 -0.361241
C 4.009495 -0.156434 -0.178721
C 3.664724 1.190803 0.130127
C 2.960424 -1.083461 -0.421500
C 5.426125 -0.634825 -0.258739
C 6.555274 0.362129 -0.005785
H -4.297187 0.233208 1.871937
H -3.104589 -1.054979 1.483917
H -4.506563 1.348451 -1.706114
H -5.157558 1.696023 -0.063078
H -2.386258 1.595473 0.938580
H -2.437633 1.822490 -0.831545
H -4.785457 -2.282564 0.130909
H -5.474844 -1.952248 1.772150
H -6.843104 0.382747 -1.324537
H -5.604297 -0.873781 -1.730553
H -1.077086 -0.195778 -1.218187
H -1.093883 -0.602937 0.538030
H 2.044426 2.626486 0.432006
H 0.825707 -1.431832 -0.555879
H 4.449040 1.930293 0.321874
H 3.237029 -2.116336 -0.659278
H 6.480626 0.801861 1.006384
H 6.520973 1.195014 -0.732836
H 7.519752 -0.158994 -0.101292


