%chk=000113456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113456

0 1
 O   -2.047600      0.5731000      -1.135100    
 O   -1.379200     -0.9107000      0.5588000    
 C  -0.2997000       1.244200      0.3785000    
 C  -0.9360000      8.8799998E-02 -0.3698000    
 C   -3.071600     -0.4037000     -0.9221000    
 C   -2.809000     -0.8482000      0.5034000    
 C   0.9061000      0.7890000       1.263000    
 C   -1.351400       1.868300       1.330200    
 C   0.1341000       2.342400     -0.6187000    
 C    2.061700      0.1359000      0.5414000    
 C   -4.437600      0.2140000      -1.143000    
 C   -3.404300      -2.195500      0.8588000    
 C    2.062300      -1.238400      0.3667000    
 C    3.098200      0.9238000      6.8200000E-02
 C    3.129000      -1.841500     -0.2998000    
 C    4.164800      0.3206000     -0.5984000    
 C    4.180100      -1.062000     -0.7823000    
 H  -0.2382000     -0.3827000      -1.069700    
 H   -2.902600      -1.219300      -1.636300    
 H   -3.157300     -0.1044000       1.226900    
 H    1.292500       1.655200       1.819700    
 H   0.5540000      0.1006000       2.044500    
 H  -0.9457000       2.771700       1.802800    
 H   -2.263600       2.171700      0.8061000    
 H   -1.621400       1.190700       2.146500    
 H   0.6751000       3.147100     -0.1083000    
 H   0.7849000       1.939800      -1.402000    
 H  -0.7294000       2.798500      -1.116200    
 H   -5.237800     -0.5113000     -0.9702000    
 H   -4.592300       1.073900     -0.4821000    
 H   -4.522100      0.5903000      -2.167900    
 H   -3.106700      -2.486400       1.871900    
 H   -4.496700      -2.177400      0.8076000    
 H   -3.033400      -2.978500      0.1883000    
 H    1.253600      -1.857400      0.7432000    
 H    3.098500       2.000900      0.2082000    
 H    3.141800      -2.918200     -0.4417000    
 H    4.983700      0.9274000     -0.9735000    
 H    5.011000      -1.531700      -1.300800    


%chk=000113456-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113456

0 1
O -2.201627 0.766983 -0.895765
O -1.445513 -0.686324 0.805906
C -0.277928 1.516209 0.471777
C -0.994660 0.323144 -0.197528
C -3.112293 -0.404745 -0.883914
C -2.876108 -0.999861 0.529653
C 0.934083 0.977883 1.318178
C -1.248906 2.247725 1.431235
C 0.197921 2.479912 -0.644987
C 2.001465 0.193084 0.565756
C -4.529357 0.074608 -1.177396
C -3.095569 -2.507195 0.649918
C 1.876619 -1.211541 0.386868
C 3.156087 0.834706 0.045133
C 2.868959 -1.947572 -0.298504
C 4.151011 0.102671 -0.642418
C 4.010550 -1.293301 -0.818273
H -0.322387 -0.203523 -0.907176
H -2.768900 -1.137302 -1.648920
H -3.496297 -0.448616 1.267255
H 1.396199 1.861557 1.800397
H 0.511353 0.347156 2.121959
H -0.730796 3.088367 1.928839
H -2.114565 2.648698 0.877001
H -1.620662 1.559444 2.211683
H 0.716984 3.350644 -0.202148
H 0.900097 1.983323 -1.338999
H -0.664125 2.847315 -1.228256
H -5.236869 -0.774423 -1.164947
H -4.850260 0.815180 -0.423849
H -4.578644 0.548255 -2.172492
H -2.822915 -2.858266 1.659807
H -4.158097 -2.760786 0.475461
H -2.474361 -3.050753 -0.083908
H 0.993929 -1.720997 0.793045
H 3.278863 1.915862 0.187447
H 2.755572 -3.031059 -0.421671
H 5.035963 0.618284 -1.033190
H 4.782987 -1.864148 -1.346178


