%chk=000159323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159323

0 1
 O    4.533400      0.7056000      0.1243000    
 O   -6.276700      0.5867000      -1.218200    
 O    5.942500     -0.3904000      -1.342200    
 C    1.219600     -0.7850000     -0.2890000    
 C    2.077300      0.3698000      0.2651000    
 C  -0.2071000     -0.7813000      0.2685000    
 C  -0.8927000      0.5674000     -0.1160000    
 C   -2.389500      0.6423000      0.3816000    
 C    1.437700       1.691200     -0.1799000    
 C  -2.7200000E-02   1.794400      0.2830000    
 C    3.415000      3.7000000E-02 -0.4265000    
 C    2.098500      -2.015600     -7.8500003E-02
 C    3.530300      -1.495900     -0.3057000    
 C   -1.028000      -1.955300     -0.2805000    
 C    2.241000      0.3680000       1.805800    
 C   -3.150600     -0.6351000     -1.2400000E-02
 C   -3.058700       1.881100     -0.2826000    
 C   -2.447500      -1.899200      0.2140000    
 C   -2.476900      0.7921000       1.919600    
 C   -4.574500       1.894000     -0.1604000    
 C   -4.385800     -0.6341000     -0.5455000    
 C   -5.158700      0.6193000     -0.7073000    
 C   -3.006600      -2.935800      0.8605000    
 C    5.749900      0.3998000     -0.4281000    
 C    6.835500       1.178900      0.2505000    
 H    1.131800     -0.6599000      -1.381600    
 H  -0.1670000     -0.8797000       1.359300    
 H  -0.9308000      0.5824000      -1.217700    
 H    1.462300       1.772400      -1.274400    
 H    2.007400       2.545500      0.2051000    
 H  -4.7300000E-02   1.937500       1.367700    
 H  -0.4481000       2.706300     -0.1547000    
 H    3.345500      0.3078000      -1.490200    
 H    1.851700      -2.820400     -0.7784000    
 H    1.993400      -2.415000      0.9364000    
 H    4.184800      -1.803900      0.5175000    
 H    3.939100      -1.928000      -1.225700    
 H  -0.5561000      -2.901500      1.1400000E-02
 H   -1.032300      -1.937300      -1.378500    
 H    2.735100     -0.5379000       2.171000    
 H    2.854700       1.218000       2.126600    
 H    1.288100      0.4452000       2.335500    
 H   -2.803400       1.904800      -1.351400    
 H   -2.670500       2.810600      0.1504000    
 H   -1.907300      1.8500000E-02   2.444100    
 H   -2.098400       1.764000       2.252800    
 H   -3.511700      0.7161000       2.274000    
 H   -4.973000       2.734600     -0.7394000    
 H   -4.898800       2.012800      0.8781000    
 H   -4.889400      -1.548300     -0.8441000    
 H   -2.455900      -3.855700       1.029100    
 H   -4.020700      -2.894600       1.245200    
 H    6.865900      0.9225000       1.312400    
 H    6.661200       2.249500      0.1173000    
 H    7.800000      0.9237000     -0.1978000    


%chk=000159323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159323

0 1
O 4.590412 0.628507 0.196894
O -6.376079 0.772543 -1.163352
O 5.869958 0.136996 -1.693558
C 1.226508 -0.902018 -0.206261
C 2.112623 0.285235 0.288702
C -0.217303 -0.842147 0.328461
C -0.871087 0.505622 -0.116529
C -2.364738 0.654359 0.384558
C 1.486895 1.598641 -0.231947
C 0.012813 1.739352 0.235051
C 3.445568 -0.131056 -0.382359
C 2.092036 -2.165316 0.060119
C 3.564981 -1.667957 -0.149321
C -1.051131 -2.034089 -0.203468
C 2.284813 0.326285 1.830288
C -3.165351 -0.593221 -0.048183
C -2.988794 1.931537 -0.258114
C -2.526838 -1.924960 0.151676
C -2.446720 0.741888 1.941463
C -4.524720 2.007981 -0.138389
C -4.436987 -0.505880 -0.568896
C -5.201365 0.750367 -0.679200
C -3.231930 -2.986275 0.638578
C 5.756713 0.687806 -0.574796
C 6.818220 1.499646 0.137124
H 1.150487 -0.790418 -1.314028
H -0.195435 -0.897389 1.435490
H -0.928063 0.460087 -1.230021
H 1.521773 1.601274 -1.341902
H 2.069185 2.475650 0.111824
H -0.004827 1.917222 1.326803
H -0.413705 2.645021 -0.233904
H 3.421553 0.089791 -1.467233
H 1.835931 -2.994414 -0.622295
H 1.941135 -2.534435 1.092207
H 4.183620 -1.855588 0.746985
H 4.063960 -2.156329 -1.002256
H -0.642508 -2.990140 0.171609
H -0.949027 -2.050289 -1.310983
H 2.688825 -0.621226 2.227618
H 2.994516 1.126598 2.101489
H 1.330609 0.524668 2.346297
H -2.715601 1.950547 -1.333108
H -2.545710 2.832726 0.204231
H -2.028863 -0.158265 2.424813
H -1.901064 1.625237 2.318548
H -3.497046 0.827215 2.271884
H -4.929289 2.884090 -0.675739
H -4.828551 2.124381 0.922012
H -4.953307 -1.407869 -0.919850
H -2.758817 -3.964858 0.781538
H -4.286196 -2.897481 0.923067
H 7.045257 1.049655 1.119104
H 6.452700 2.524535 0.322734
H 7.730461 1.536061 -0.475377


