%chk=000163557.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163557

0 1
 O    1.418500      -2.247600      -1.595300    
 O   -1.842600      -2.221400      0.6335000    
 O    1.513500      -1.340400       1.901000    
 O    2.940500       1.632500      0.1820000    
 O   -1.460600     -0.7850000      -2.546900    
 O    3.996500       1.218700      -1.830700    
 C    1.058900      -1.477300     -0.4879000    
 C   0.6269000      -1.845100      0.8913000    
 C   2.5800001E-02  -2.289600      -1.446100    
 C  -0.8067000      -1.341800       1.090500    
 C   -1.665200      -1.038800     -0.1606000    
 C    1.487000     -5.2400000E-02 -0.6892000    
 C   -1.073900      -1.311200      -1.515400    
 C    2.550300      0.2755000      0.3532000    
 C    2.033100     -3.4000000E-03   1.782800    
 C   -2.745800     -0.1089000     -2.5699999E-02
 C    3.209500      4.4599999E-02   2.775700    
 C    1.000200       1.032300       2.255200    
 C   -3.652400      0.6710000      8.5500002E-02
 C    3.409200       1.964800      -1.059000    
 C   -4.724900       1.603600      0.2159000    
 C    3.098400       3.401000      -1.353400    
 C   -4.421500       3.071600      0.1564000    
 C   -5.974600       1.147200      0.3872000    
 H   0.6311000      -2.933600       1.022400    
 H  -0.3216000      -3.284500      -1.183300    
 H  -0.9930000     -0.8545000       2.035700    
 H   0.6410000      0.6389000     -0.6013000    
 H    1.852800      8.2199998E-02  -1.712600    
 H    3.422000     -0.3706000      0.1739000    
 H    3.961300     -0.7127000       2.524200    
 H    2.871800     -0.1844000       3.793400    
 H    3.697200       1.024900       2.785000    
 H    1.447900       2.025700       2.368800    
 H   0.5709000      0.7390000       3.220000    
 H   0.1646000       1.133300       1.558000    
 H    3.587700       4.044200     -0.6177000    
 H    2.016400       3.555000      -1.341000    
 H    3.475800       3.657600      -2.347300    
 H   -5.322300       3.684500      0.2680000    
 H   -3.961800       3.327800     -0.8042000    
 H   -3.727800       3.350700      0.9568000    
 H   -6.813400       1.828300      0.4895000    
 H   -6.194900      8.4700003E-02  0.4301000    


%chk=000163557-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163557

0 1
O 1.329874 -2.247419 -1.928365
O -1.879616 -2.449325 0.502980
O 1.566099 -1.417369 1.783192
O 2.771313 1.747160 0.149571
O -1.546979 -0.297719 -2.539537
O 4.387730 1.275343 -1.472996
C 0.927521 -1.477023 -0.675945
C 0.665650 -1.931487 0.758013
C -0.118773 -2.134069 -1.550393
C -0.837871 -1.497654 0.981308
C -1.776199 -1.058302 -0.178935
C 1.300006 0.002617 -0.785285
C -1.207000 -1.106405 -1.656558
C 2.422511 0.300706 0.227665
C 2.013163 0.021107 1.700614
C -2.860915 -0.152046 0.060308
C 3.238886 0.057960 2.625282
C 0.911213 0.972697 2.212551
C -3.803421 0.630738 0.237413
C 3.781831 2.107381 -0.766452
C -4.891581 1.560359 0.370286
C 3.982316 3.605506 -0.754243
C -5.292339 2.305733 -0.896255
C -5.523352 1.742240 1.569554
H 0.721701 -3.029312 0.868539
H -0.497196 -3.098361 -1.189948
H -1.050469 -1.085493 1.976664
H 0.437870 0.665150 -0.583131
H 1.650424 0.207651 -1.809358
H 3.320055 -0.292465 -0.030596
H 3.996632 -0.670644 2.290208
H 2.942818 -0.201913 3.655885
H 3.685648 1.066865 2.627586
H 1.309492 1.999526 2.271719
H 0.596027 0.655774 3.221659
H 0.021994 1.001779 1.560195
H 4.032066 3.983813 0.280025
H 3.125038 4.098904 -1.246557
H 4.903124 3.860395 -1.298335
H -6.131325 2.993731 -0.698783
H -5.594236 1.596248 -1.688075
H -4.442114 2.889273 -1.294178
H -6.360317 2.442581 1.664316
H -5.221499 1.192170 2.466795


