%chk=000011333.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011333

0 1
 O  -0.1840000      0.9712000     -0.2274000    
 O   -3.274200      0.5171000      0.2155000    
 O    1.427400     -0.7177000     -0.2447000    
 O   -1.989000      -2.129200     -0.5867000    
 O   -3.449900      -1.441000       1.532300    
 O    1.874800       2.907200     -0.5127000    
 O    4.423300       2.028600      0.5355000    
 O    3.661200     -0.4586000       1.516400    
 O   -4.478400       1.174500      -2.203900    
 O   -3.128800      0.8366000       2.986000    
 O    1.873000      -3.336900     -0.9386000    
 C   -1.148000      9.7099997E-02 -0.8048000    
 C   -1.469500      -1.029000      0.1572000    
 C   -2.475100      0.8429000     -0.9392000    
 C   -2.574300     -0.4343000       1.033300    
 C    1.139500      0.6246000     -0.6340000    
 C    2.107100       1.607200      2.9400000E-02
 C    3.556600       1.202700     -0.2372000    
 C    3.788100     -0.2694000      0.1056000    
 C    2.747800      -1.138000     -0.6101000    
 C   -3.266300      0.4393000      -2.176200    
 C   -2.034800      0.3178000       2.249400    
 C    2.873400      -2.612500     -0.2452000    
 H  -0.8087000     -0.2492000      -1.789200    
 H  -0.6415000      -1.399700      0.7660000    
 H   -2.336600       1.930300     -0.9302000    
 H    1.199900      0.7191000      -1.727000    
 H    1.919900       1.678100       1.107600    
 H    3.804500       1.378400      -1.291500    
 H    4.807500     -0.5649000     -0.1640000    
 H    2.843100      -1.034900      -1.699000    
 H   -3.526800     -0.6233000      -2.170300    
 H   -2.709000      0.6606000      -3.091200    
 H   -1.400800       1.162500       1.968100    
 H   -1.474800     -0.3545000       2.908000    
 H    2.718100      -2.785600      0.8244000    
 H    3.852600      -3.009600     -0.5285000    
 H   -1.274100      -2.456500      -1.158800    
 H   -3.908700      -1.090600       2.314300    
 H   0.9411000       3.126600     -0.3519000    
 H    4.230800       2.952600      0.3014000    
 H    2.725700     -0.3486000       1.756500    
 H   -4.961300      0.9746000      -1.383800    
 H   -2.761500       1.299500       3.758100    
 H    1.011000      -2.968800     -0.6794000    


%chk=000011333-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000011333

0 1
O 0.112955 1.280198 -0.367453
O -3.087112 0.762149 0.753171
O 1.650682 -0.430363 0.124969
O -0.837455 -2.038624 0.134252
O -3.398757 -1.548263 0.094573
O 2.343858 2.781376 -1.693979
O 4.930978 1.986814 -0.777595
O 4.162279 0.111501 1.353483
O -4.434141 2.067457 -1.424604
O -4.470709 -1.204564 2.550815
O 1.714590 -3.297897 0.060607
C -1.062784 0.403922 -0.554107
C -1.195337 -0.695633 0.554357
C -2.317475 1.290627 -0.424681
C -2.685887 -0.625753 0.978453
C 1.350300 0.681501 -0.787697
C 2.473808 1.724320 -0.683664
C 3.836157 1.049467 -0.967934
C 4.059081 -0.201075 -0.073441
C 2.875095 -1.166392 -0.323233
C -3.226494 1.278448 -1.663097
C -3.017972 -0.971453 2.437288
C 2.852128 -2.482581 0.460562
H -0.993459 -0.097582 -1.542135
H -0.536779 -0.423539 1.394291
H -2.042916 2.324456 -0.157824
H 1.264270 0.284570 -1.828028
H 2.467433 2.153348 0.339659
H 3.807929 0.702555 -2.028579
H 5.027719 -0.659698 -0.335523
H 2.773435 -1.399647 -1.405082
H -3.475390 0.232400 -1.935956
H -2.715425 1.769259 -2.509565
H -2.675394 -0.166713 3.111381
H -2.548476 -1.928035 2.715344
H 2.854983 -2.265422 1.549018
H 3.754397 -3.072434 0.222224
H -1.671416 -2.459078 -0.220005
H -4.241520 -1.800931 0.568824
H 1.543116 3.325692 -1.487602
H 4.705102 2.806211 -1.291231
H 3.241007 0.295862 1.679424
H -4.844108 1.726573 -0.587690
H -4.933874 -0.328222 2.559152
H 0.861878 -2.778506 0.168359


