%chk=000154676.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154676

0 1
 O    2.684100      0.6052000     -9.4800003E-02
 O   -2.612600     -0.6418000     -0.3507000    
 O   -1.716800      -1.668900       1.511400    
 O   -1.008800       2.828900      0.7653000    
 O    1.890900       1.470600       1.895000    
 O    5.305100       1.069700     -0.9494000    
 O   -5.325400      -1.221200     -0.8628000    
 C    3.205300      -1.722300     -0.4501000    
 C    1.791400      -2.165700     -0.8539000    
 C    3.231800     -0.5623000      0.5545000    
 C    1.029000      -2.830200      0.2962000    
 C  -0.2755000      -3.509700     -0.1411000    
 C   -3.143500      0.4415000      0.4399000    
 C   -3.312800       1.671000     -0.4671000    
 C    4.664900     -0.2475000      0.9737000    
 C   -1.336800      -2.570800     -0.7150000    
 C   -2.055700       2.039400      -1.257400    
 C   -4.485000      2.1500001E-02   1.032500    
 C   0.4873000       2.374800      -1.077700    
 C   -1.887300      -1.597200      0.3024000    
 C  -0.8704000       2.437500     -0.3921000    
 C    1.649600       2.718900     -0.1566000    
 C    2.071400       1.539600      0.6864000    
 C    5.542500      0.1200000     -0.2046000    
 C   -5.501900     -0.3300000     -3.3500001E-02
 C    6.748700     -0.7559000     -0.4236000    
 C   -6.769200      0.4849000     -2.7100001E-02
 H    3.751400      -2.582800     -4.5000002E-02
 H    3.712200      -1.421600      -1.375500    
 H    1.882800      -2.880900      -1.680600    
 H    1.230200      -1.306900      -1.237700    
 H    2.644000     -0.8194000       1.442300    
 H   0.8193000      -2.095700       1.080100    
 H    1.668300      -3.596900      0.7517000    
 H  -0.6927000      -4.042500      0.7227000    
 H  -4.1600000E-02  -4.273500     -0.8929000    
 H   -2.446300      0.6833000       1.250700    
 H   -3.642400       2.525700      0.1360000    
 H   -4.093500       1.485900      -1.214200    
 H    5.099500      -1.104200       1.500700    
 H    4.692900      0.6044000       1.662900    
 H   -2.180100      -3.169400      -1.078500    
 H  -0.9286000      -2.010600      -1.562200    
 H   -2.275000       2.889300      -1.913800    
 H   -1.757800       1.199800      -1.894800    
 H   -4.882100      0.8227000       1.665800    
 H   -4.376300     -0.8665000       1.665500    
 H   0.6078000       1.374500      -1.507300    
 H   0.4580000       3.101400      -1.897700    
 H    1.415100       3.558500      0.5071000    
 H    2.521500       3.026800     -0.7466000    
 H    6.429400      -1.786400     -0.5975000    
 H    7.302900     -0.4069000      -1.299300    
 H    7.402400     -0.7044000      0.4507000    
 H   -6.530000       1.541900     -0.1670000    
 H   -7.419400      0.1605000     -0.8444000    
 H   -7.293800      0.3380000      0.9203000    


%chk=000154676-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154676

0 1
O 2.371423 0.595580 0.116345
O -2.447074 -0.757670 -0.334682
O -2.115390 -1.814422 1.718001
O -0.962994 2.697928 0.967716
O 2.625628 1.508802 2.246361
O 5.052154 1.615046 -0.627730
O -5.309076 -1.676918 -0.470047
C 2.880455 -1.676398 -0.558637
C 1.424421 -2.176307 -0.710675
C 3.104950 -0.635509 0.550466
C 0.870194 -2.901942 0.540820
C -0.391668 -3.758440 0.264932
C -3.023894 0.439013 0.355545
C -2.992628 1.563118 -0.694650
C 4.606832 -0.301047 0.802180
C -1.561659 -2.985605 -0.389569
C -1.577242 1.841528 -1.236626
C -4.436445 0.117294 0.920064
C 0.792690 2.783660 -0.726755
C -2.054584 -1.834869 0.467277
C -0.614255 2.453398 -0.219350
C 1.830046 2.936980 0.401653
C 2.285361 1.641121 1.050273
C 5.289995 0.401960 -0.375012
C -5.405080 -0.472465 -0.109757
C 6.272785 -0.409182 -1.208673
C -6.494215 0.441467 -0.658629
H 3.537340 -2.542881 -0.338338
H 3.221231 -1.243790 -1.519964
H 1.394162 -2.871986 -1.574715
H 0.776093 -1.318465 -0.973364
H 2.671533 -0.964712 1.513364
H 0.636990 -2.168516 1.336794
H 1.655429 -3.570183 0.951450
H -0.743067 -4.194542 1.218551
H -0.125893 -4.602274 -0.402627
H -2.368371 0.688134 1.208548
H -3.397572 2.476912 -0.220459
H -3.650605 1.293500 -1.541971
H 5.121806 -1.248034 1.046214
H 4.658514 0.363972 1.682540
H -2.424207 -3.666401 -0.534197
H -1.295938 -2.601060 -1.388402
H -1.620757 2.519436 -2.114195
H -1.130186 0.899813 -1.613218
H -4.840163 1.052879 1.349201
H -4.306179 -0.616309 1.735525
H 1.117865 2.025990 -1.461243
H 0.716616 3.743090 -1.281484
H 1.440924 3.585270 1.203183
H 2.750912 3.399075 -0.005244
H 5.804039 -1.346092 -1.563884
H 6.631136 0.180526 -2.066602
H 7.138330 -0.704535 -0.583718
H -6.063737 1.388700 -1.034056
H -7.053225 -0.062953 -1.462050
H -7.195352 0.713413 0.154822


