%chk=000106918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106918

0 1
 O  -0.4154000       1.155600      0.3433000    
 O   0.9464000      0.2174000      -1.264700    
 C   -4.150600      0.5874000      3.9099999E-02
 C   -4.095100     -0.9383000      0.2900000    
 C   -2.874800      -1.623700     -0.3473000    
 C   -2.808200       1.233600      0.4429000    
 C   -1.593000      0.5576000     -0.1927000    
 C   -1.575400     -0.9425000      9.3400002E-02
 C   -4.472900      0.8844000      -1.438100    
 C   -5.275800       1.194200      0.8989000    
 C   -2.848100      -3.109800      1.0400000E-02
 C   0.7705000      0.6736000     -0.1430000    
 C    1.827300      0.7941000      0.9289000    
 C    3.183500      0.3205000      0.4737000    
 C    3.536400      -1.009500      0.6508000    
 C    4.058400       1.221500     -0.1152000    
 C    4.792000      -1.447900      0.2298000    
 C    5.313900      0.7832000     -0.5363000    
 C    5.680600     -0.5515000     -0.3637000    
 H   -5.014300      -1.410000     -8.1600003E-02
 H   -4.073900      -1.122000       1.373400    
 H   -2.954200      -1.551600      -1.439000    
 H   -2.694000       1.199900       1.535800    
 H   -2.802300       2.302300      0.1901000    
 H   -1.608100      0.7373000      -1.274600    
 H   -1.407300      -1.105800       1.166900    
 H  -0.7343000      -1.432200     -0.4101000    
 H   -4.535000       1.964200      -1.615600    
 H   -3.718900      0.4852000      -2.122100    
 H   -5.436500      0.4471000      -1.723800    
 H   -5.346100       2.277800      0.7511000    
 H   -6.248000      0.7576000      0.6437000    
 H   -5.101600       1.015700       1.966000    
 H   -1.998700      -3.609100     -0.4677000    
 H   -2.763100      -3.258800       1.092200    
 H   -3.762900      -3.606900     -0.3292000    
 H    1.506600      0.2111000       1.800700    
 H    1.890800       1.843700       1.240600    
 H    2.850500      -1.715800       1.109800    
 H    3.781700       2.262600     -0.2560000    
 H    5.077400      -2.487300      0.3634000    
 H    6.005800       1.480900     -0.9991000    
 H    6.658100     -0.8928000     -0.6919000    


%chk=000106918-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106918

0 1
O -0.065752 -0.372119 0.944426
O 0.935879 -2.076955 -0.300906
C -3.489641 0.738438 -0.418249
C -4.301804 -0.435941 0.210576
C -3.575108 -1.805429 0.183434
C -2.076716 0.790755 0.242519
C -1.358060 -0.562439 0.189312
C -2.178757 -1.682148 0.848056
C -3.370138 0.565457 -1.957844
C -4.220862 2.074325 -0.128955
C -4.417899 -2.899503 0.874368
C 1.001265 -1.190882 0.584443
C 2.252931 -0.835110 1.382723
C 3.215786 0.020379 0.556199
C 3.846605 -0.517342 -0.595396
C 3.486765 1.360699 0.926085
C 4.736766 0.271305 -1.356982
C 4.379522 2.150532 0.164915
C 5.008393 1.607410 -0.978534
H -5.278353 -0.521958 -0.308150
H -4.526034 -0.183725 1.269670
H -3.427391 -2.108262 -0.874614
H -2.183196 1.084217 1.306339
H -1.455960 1.563261 -0.250312
H -1.086952 -0.849457 -0.843934
H -2.305266 -1.445724 1.924619
H -1.633852 -2.641135 0.773238
H -2.794692 1.401093 -2.399279
H -2.865368 -0.374086 -2.244902
H -4.372893 0.560947 -2.425508
H -3.665694 2.932161 -0.553714
H -5.234359 2.073418 -0.572927
H -4.326408 2.242912 0.959548
H -3.908364 -3.880416 0.840084
H -4.593114 -2.646310 1.937925
H -5.404639 -3.011519 0.387429
H 2.740705 -1.786550 1.661850
H 1.957178 -0.303845 2.301071
H 3.626945 -1.548111 -0.896890
H 2.997517 1.787224 1.810018
H 5.218586 -0.155353 -2.244045
H 4.582519 3.185094 0.464197
H 5.701313 2.217691 -1.568703


