%chk=000103559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103559

0 1
 O   -3.369600       4.572800     -0.9885000    
 O   -2.998400       1.405000      -1.439600    
 O  -0.6363000      -2.367900      0.7892000    
 O    4.213600     -0.2149000     -0.7068000    
 O   -2.319000      -3.809400      0.3909000    
 O    5.910300       1.207500     -0.2927000    
 O  -0.5779000      -3.711900      -1.116600    
 O    4.154700       1.129200       1.199000    
 C   -3.019300       2.726500      0.5323000    
 C   -4.042400       2.130900       1.499700    
 C   -5.392700       2.326800      0.8187000    
 C   -5.298700       3.696500      0.1621000    
 C   -3.837900       3.764300     -0.1966000    
 C   -2.446600       1.690600     -0.3781000    
 C   -1.161100       1.029300      8.6999997E-02
 C  -0.6717000     -4.3699998E-02 -0.8838000    
 C   0.5992000     -0.6938000     -0.4013000    
 C   0.5557000      -1.826400      0.4119000    
 C    1.828200     -0.1522000     -0.7774000    
 C    3.013800     -0.7431000     -0.3405000    
 C    1.741200      -2.417200      0.8489000    
 C    2.970300      -1.875600      0.4728000    
 C   -1.130900      -3.343300     -8.8100001E-02
 C    4.712500      0.7551000      0.1750000    
 C   -2.951400      -4.819100     -0.4023000    
 C    6.547500       2.208800      0.5073000    
 C   -4.249600      -5.226300      0.2613000    
 C    7.856400       2.601200     -0.1442000    
 H   -2.216400       3.232500       1.078000    
 H   -3.860000       1.076400       1.730800    
 H   -4.026200       2.688800       2.444300    
 H   -5.542800       1.553000      5.5900000E-02
 H   -6.225400       2.266500       1.525600    
 H   -5.930700       3.766400     -0.7255000    
 H   -5.529100       4.498000      0.8695000    
 H  -0.4011000       1.811500      0.1991000    
 H   -1.346100      0.5891000       1.073700    
 H  -0.4962000      0.4029000      -1.871900    
 H   -1.454800     -0.7915000      -1.053400    
 H    1.869200      0.7313000      -1.410000    
 H    1.715200      -3.299200       1.483300    
 H    3.890100      -2.340900      0.8164000    
 H   -3.155700      -4.422200      -1.403000    
 H   -2.288700      -5.687800     -0.4836000    
 H    6.738100       1.808800       1.509500    
 H    5.894500       3.085400      0.5836000    
 H   -4.760600      -5.998800     -0.3201000    
 H   -4.915900      -4.363700      0.3661000    
 H   -4.063200      -5.608500       1.270400    
 H    8.371200       3.367000      0.4427000    
 H    7.683600       2.986500      -1.154500    
 H    8.513400       1.730900     -0.2439000    


%chk=000103559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103559

0 1
O -2.107225 3.461692 1.604389
O -3.290546 0.597647 -1.096824
O -0.542323 -2.566609 1.023942
O 4.436551 -0.009309 0.354786
O -2.301881 -3.804643 0.459965
O 6.081719 1.374422 -0.149626
O -0.579503 -3.565389 -1.120623
O 3.951327 1.897352 -0.975415
C -3.739739 1.644804 1.072344
C -5.218682 1.778418 0.648521
C -5.281042 3.101695 -0.170613
C -4.282002 4.042443 0.542484
C -3.218309 3.115319 1.140155
C -2.871110 0.853335 0.062551
C -1.502379 0.428647 0.571969
C -0.564233 -0.099186 -0.540286
C 0.714330 -0.689371 0.028615
C 0.708362 -1.902493 0.757747
C 1.955236 -0.024088 -0.134612
C 3.125306 -0.576490 0.431865
C 1.870668 -2.451910 1.325079
C 3.098633 -1.783573 1.162228
C -1.091155 -3.342321 -0.006414
C 4.731187 1.165708 -0.327969
C -3.063363 -4.660260 -0.510232
C 6.619849 2.606365 -0.814887
C -4.359025 -5.052396 0.188412
C 8.105587 2.658184 -0.481935
H -3.582650 1.189681 2.068259
H -5.548654 0.914070 0.049302
H -5.860310 1.850860 1.546613
H -4.947992 2.905565 -1.204952
H -6.300650 3.519990 -0.213754
H -3.810907 4.805233 -0.101277
H -4.764149 4.583790 1.382462
H -1.051108 1.282932 1.116860
H -1.667558 -0.360168 1.335658
H -0.317779 0.726138 -1.230855
H -1.109537 -0.848827 -1.142206
H 2.001398 0.910556 -0.695795
H 1.807916 -3.388407 1.886315
H 4.027192 -2.174499 1.585708
H -3.235967 -4.069120 -1.427326
H -2.435798 -5.532536 -0.766740
H 6.064719 3.479020 -0.426419
H 6.428560 2.524062 -1.899941
H -4.964515 -5.687561 -0.483397
H -4.951410 -4.159274 0.449431
H -4.153880 -5.618996 1.112353
H 8.559288 3.550973 -0.949361
H 8.626374 1.763244 -0.862055
H 8.263477 2.717380 0.608101


