%chk=000104413.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104413

0 1
 O    1.660000       1.695600     -0.6228000    
 O   -3.159800     -0.5867000      0.7959000    
 O    4.082600      -2.345500      0.7211000    
 O    1.755100       2.699200       1.489900    
 O   -3.258500      -1.588700      -1.317600    
 C   0.4338000     -0.1174000      0.3365000    
 C  -0.7751000     -0.6996000      0.6972000    
 C    1.726000     -0.8437000      0.6067000    
 C   0.4682000       1.131000     -0.2727000    
 C  -0.7250000       1.807900     -0.5250000    
 C   -1.943300       1.231100     -0.1660000    
 C   -1.968400     -2.2800000E-02  0.4449000    
 C    2.128700      -1.735400     -0.5663000    
 C  -0.8081000      -2.043200       1.353300    
 C  -0.6920000       3.151700      -1.180600    
 C   -3.226000       1.952100     -0.4343000    
 C    3.425200      -2.483200     -0.3093000    
 C    3.878100      -3.419300      -1.399700    
 C    2.231800       2.490400      0.3822000    
 C   -3.732700      -1.382200     -0.2083000    
 C    3.532600       3.063000     -9.7700000E-02
 C   -5.033200      -1.954200      0.2727000    
 H    2.533600     -0.1336000      0.8202000    
 H    1.665600      -1.433100       1.528600    
 H    2.269800      -1.129500      -1.469200    
 H    1.352000      -2.477500     -0.7782000    
 H  -0.3010000      -2.007900       2.323400    
 H   -1.820800      -2.402100       1.559300    
 H  -0.3388000      -2.802300      0.7212000    
 H  -0.8390000       3.938900     -0.4339000    
 H   0.2544000       3.347600      -1.694800    
 H   -1.464600       3.237700      -1.952000    
 H   -3.147600       3.013700     -0.1764000    
 H   -3.497900       1.857100      -1.490600    
 H   -4.058900       1.569100      0.1639000    
 H    4.819000      -3.895400      -1.110200    
 H    3.123100      -4.193900      -1.554400    
 H    4.036600      -2.856500      -2.322800    
 H    4.224600       2.252700     -0.3401000    
 H    3.974000       3.674800      0.6942000    
 H    3.357000       3.694900     -0.9718000    
 H   -4.858900      -2.576700       1.153700    
 H   -5.469100      -2.576300     -0.5142000    
 H   -5.729000      -1.144000      0.5041000    


%chk=000104413-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104413

0 1
O 1.689749 1.417447 -0.556937
O -3.356128 -0.678354 0.779802
O 4.520071 -1.097117 0.288577
O 1.780724 2.889322 1.269882
O -3.923723 -1.183707 -1.443156
C 0.343261 -0.346071 0.403163
C -0.928066 -0.907566 0.708422
C 1.654412 -1.063078 0.678329
C 0.379098 0.936262 -0.194893
C -0.761512 1.709866 -0.500559
C -2.035546 1.159311 -0.176967
C -2.073297 -0.132462 0.402326
C 2.311660 -1.632171 -0.609212
C -1.058086 -2.278210 1.349419
C -0.620637 3.077712 -1.139316
C -3.317387 1.924758 -0.444598
C 3.828970 -1.808647 -0.493737
C 4.472994 -2.860602 -1.387751
C 2.344739 2.345812 0.301739
C -4.214502 -1.180226 -0.231621
C 3.773721 2.519513 -0.152168
C -5.492792 -1.682841 0.401379
H 2.383073 -0.371297 1.138210
H 1.507663 -1.881929 1.402706
H 2.162790 -0.909959 -1.439553
H 1.835483 -2.577355 -0.931765
H -0.631121 -2.284584 2.370078
H -2.114021 -2.575265 1.432989
H -0.527721 -3.051696 0.764124
H -0.694041 3.877808 -0.377611
H 0.359244 3.180603 -1.632799
H -1.403844 3.256883 -1.895336
H -3.161124 3.012948 -0.367550
H -3.703736 1.706109 -1.458953
H -4.102543 1.643132 0.277300
H 5.539363 -2.634249 -1.546392
H 4.404848 -3.845970 -0.883933
H 3.949294 -2.951137 -2.356055
H 4.337180 1.592353 0.066508
H 4.236012 3.361926 0.382242
H 3.818318 2.687439 -1.241371
H -5.266450 -2.429813 1.181708
H -6.137989 -2.128572 -0.368924
H -6.024307 -0.848528 0.892354


