%chk=000097762.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097762

0 1
 O    2.890300       2.299100       1.715500    
 O   -2.886800       2.309700      -1.707500    
 O    3.693800       2.759300     -0.9048000    
 O   -3.689100       2.757100      0.9153000    
 C   0.6913000      -1.845500      0.3702000    
 C  -0.6903000      -1.843200     -0.3842000    
 C    1.515200      -3.131100      0.1041000    
 C   -1.514800      -3.129700     -0.1245000    
 C    1.504700     -0.5970000      2.8000001E-02
 C   -1.502700     -0.5959000     -3.5399999E-02
 C    2.814900      -3.204200      0.9014000    
 C   -2.841900      -3.171800     -0.8773000    
 C    1.823300      0.2805000       1.039600    
 C   -1.821000      0.2869000      -1.042300    
 C    1.887800     -0.3967000      -1.278800    
 C   -1.885100     -0.4019000       1.272600    
 C    2.564900       1.419900      0.7274000    
 C   -2.561800       1.425300     -0.7240000    
 C    2.629300      0.7426000      -1.591000    
 C   -2.625900      0.7362000       1.590900    
 C    2.968100       1.650800     -0.5880000    
 C   -2.964200       1.649700      0.5926000    
 H   0.4859000      -1.840700       1.449900    
 H  -0.4862000      -1.833000      -1.464100    
 H    1.738000      -3.242700     -0.9635000    
 H   0.9343000      -4.010600      0.3990000    
 H  -0.9490000      -4.004500     -0.4605000    
 H   -1.702900      -3.265800      0.9470000    
 H    3.527000      -2.435500      0.5874000    
 H    2.625000      -3.085800       1.973000    
 H    3.292800      -4.177300      0.7488000    
 H   -2.689400      -3.018500      -1.950400    
 H   -3.317500      -4.148600     -0.7404000    
 H   -3.540900      -2.413500     -0.5128000    
 H    1.512000      0.1042000       2.064900    
 H   -1.510100      0.1157000      -2.068600    
 H    1.637000      -1.094000      -2.071300    
 H   -1.634800      -1.104000       2.061200    
 H    2.941100      0.9164000      -2.617300    
 H   -2.933900      0.8983000       2.620300    
 H    3.077100       3.170200       1.329800    
 H   -3.398600       3.035300      -1.309500    
 H    4.141500       3.095000     -0.1116000    
 H   -3.877200       2.745400       1.869500    


%chk=000097762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097762

0 1
O 2.606749 2.547543 1.584211
O -2.684077 2.526145 -1.533754
O 3.751038 2.811224 -1.012318
O -3.677951 2.861565 0.956252
C 0.700750 -1.918026 0.377031
C -0.685491 -1.901527 -0.380758
C 1.514155 -3.222615 0.131436
C -1.513837 -3.202552 -0.164078
C 1.511291 -0.668839 0.013685
C -1.487135 -0.653984 0.008499
C 2.871485 -3.248934 0.867237
C -2.873472 -3.194200 -0.895705
C 1.706363 0.364107 0.960663
C -1.725724 0.371316 -0.938626
C 2.054263 -0.503573 -1.289037
C -2.000417 -0.500691 1.322290
C 2.425577 1.523057 0.616982
C -2.455749 1.521557 -0.586091
C 2.801792 0.643565 -1.630231
C -2.736105 0.650704 1.687301
C 3.007019 1.651441 -0.670111
C -2.960994 1.658276 0.732472
H 0.478756 -1.872944 1.464097
H -0.461861 -1.834813 -1.466298
H 1.678236 -3.359227 -0.957175
H 0.915572 -4.089625 0.467494
H -0.927199 -4.068819 -0.522619
H -1.676858 -3.362140 0.921756
H 3.535751 -2.439212 0.518146
H 2.733506 -3.121793 1.958040
H 3.389592 -4.211880 0.703174
H -2.737174 -3.044048 -1.983669
H -3.403595 -4.153835 -0.751703
H -3.525234 -2.383365 -0.526320
H 1.274651 0.296075 1.964496
H -1.339455 0.293852 -1.960070
H 1.908532 -1.283973 -2.044807
H -1.835521 -1.283113 2.071527
H 3.244452 0.766458 -2.623408
H -3.128738 0.756687 2.706875
H 2.493525 3.434292 1.152456
H -3.210336 3.252391 -1.106413
H 4.323676 3.076232 -0.245892
H -4.008608 2.923342 1.883564


