%chk=000028204.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028204

0 1
 O   -4.979500       1.212500     -0.1875000    
 O    5.743200      0.2290000       1.169300    
 C   -1.825000     -0.6238000      0.3014000    
 C   -2.572100      0.6424000     -0.1940000    
 C  -0.4054000     -0.7700000     -0.3127000    
 C   0.4155000      0.5297000      5.3700000E-02
 C   -3.966400      0.4649000      0.4810000    
 C    1.896000      0.5354000     -0.4931000    
 C   -1.775800       1.874800      0.2466000    
 C  -0.3434000       1.839600     -0.2916000    
 C   -2.875500      -1.721400      0.1115000    
 C   0.3809000      -2.030700      0.1627000    
 C   -4.244000      -1.040400      0.2942000    
 C    1.805800      -2.032300     -0.4171000    
 C    2.575100     -0.7763000     -0.1116000    
 C   -2.747900      0.6812000      -1.741700    
 C    2.659200       1.734100      0.1477000    
 C   -4.046400      0.8433000       1.965400    
 C    1.944100      0.6799000      -2.031400    
 C  -0.2599000      -3.366500     -0.2336000    
 C    4.171700       1.631200      3.0900000E-02
 C    3.800200     -0.8672000      0.4327000    
 C    4.649800      0.3307000      0.6172000    
 H   -1.668500     -0.5399000       1.387400    
 H  -0.4992000     -0.8389000      -1.402000    
 H   0.4944000      0.5188000       1.153500    
 H   -1.716300       1.929800       1.340000    
 H   -2.272600       2.794400     -8.4899999E-02
 H  -0.3579000       2.001500      -1.373400    
 H   0.1805000       2.701200      0.1362000    
 H   -2.771400      -2.511900      0.8595000    
 H   -2.813000      -2.175200     -0.8832000    
 H   0.4561000      -2.005000       1.258500    
 H   -4.876000      -1.229700     -0.5821000    
 H   -4.776000      -1.468300       1.151900    
 H    1.762200      -2.161300      -1.506700    
 H    2.345800      -2.908800     -3.4299999E-02
 H   -3.354800     -0.1495000      -2.115300    
 H   -3.244300       1.608800      -2.050300    
 H   -1.799500      0.6397000      -2.282700    
 H    2.405800       1.799500       1.215400    
 H    2.345100       2.681900     -0.3052000    
 H   -5.048100      0.6312000       2.358400    
 H   -3.323500      0.3038000       2.583100    
 H   -3.895800       1.919100       2.107000    
 H    1.296400     -4.3499999E-02  -2.536400    
 H    1.631700       1.678600      -2.353700    
 H    2.958200      0.5244000      -2.418000    
 H   0.4540000      -4.193000     -0.1395000    
 H   -1.091100      -3.625800      0.4222000    
 H  -0.6127000      -3.349800      -1.269700    
 H   -4.746700       2.154100     -0.1181000    
 H    4.632400       2.455000      0.5874000    
 H    4.505600       1.693500      -1.009500    
 H    4.241300      -1.821800      0.6995000    


%chk=000028204-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028204

0 1
O -5.083625 1.195784 -0.139852
O 5.792119 0.301926 1.357122
C -1.821511 -0.628371 0.272024
C -2.582372 0.662239 -0.191405
C -0.406415 -0.781275 -0.368759
C 0.415886 0.509402 0.011373
C -3.973240 0.482778 0.541699
C 1.916897 0.530349 -0.505755
C -1.754475 1.899408 0.215975
C -0.325659 1.821838 -0.371912
C -2.898067 -1.744944 0.114237
C 0.349706 -2.068179 0.093947
C -4.266929 -1.038329 0.375141
C 1.840229 -2.042474 -0.359044
C 2.587448 -0.769181 -0.049759
C -2.836398 0.670944 -1.724673
C 2.648882 1.758549 0.125045
C -3.977718 0.910102 2.025909
C 1.991421 0.614475 -2.063428
C -0.248910 -3.398499 -0.429957
C 4.188245 1.658922 0.092517
C 3.811073 -0.808597 0.571222
C 4.679786 0.370336 0.748440
H -1.636737 -0.512170 1.364640
H -0.515911 -0.836294 -1.473063
H 0.491464 0.494560 1.124434
H -1.674908 1.954895 1.319773
H -2.243775 2.836217 -0.123323
H -0.372187 1.921507 -1.472407
H 0.249239 2.690619 -0.003179
H -2.740484 -2.572419 0.826734
H -2.866775 -2.179339 -0.901589
H 0.335307 -2.083962 1.205921
H -4.963077 -1.164320 -0.471762
H -4.773241 -1.438959 1.270977
H 1.852746 -2.200280 -1.460124
H 2.369898 -2.907417 0.082037
H -3.475620 -0.170641 -2.039816
H -3.362890 1.595435 -2.018655
H -1.896356 0.616743 -2.298756
H 2.326495 1.855373 1.182031
H 2.338238 2.684393 -0.392659
H -4.962177 0.667763 2.463795
H -3.203689 0.385888 2.615022
H -3.812182 1.998200 2.145197
H 1.415169 -0.191361 -2.550113
H 1.592348 1.579273 -2.422097
H 3.037285 0.532669 -2.409673
H 0.437353 -4.236972 -0.204333
H -1.221968 -3.642277 0.018423
H -0.378407 -3.361569 -1.529147
H -4.990725 2.167031 0.038671
H 4.659081 2.518876 0.600913
H 4.556741 1.667572 -0.953750
H 4.225675 -1.763238 0.920772


