%chk=000163334.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163334

0 1
 O  -0.1360000     -0.5703000      -2.819100    
 O  -0.2968000      -2.383600     -0.5013000    
 O   -1.325800      0.9428000      0.4361000    
 O    1.566300       1.697100       1.133400    
 O  -0.7528000      -2.583900       1.746700    
 O   -2.338300     -0.3548000       2.046200    
 O    2.410500       2.797900       2.955800    
 C   -1.359100     -0.9138000      -2.141400    
 C   -1.118100      -1.219800     -0.6452000    
 C  -0.4002000     -7.7600002E-02  7.6499999E-02
 C   0.6695000      0.5316000     -0.7888000    
 C   0.7371000      0.2513000      -2.157800    
 C   -1.890900      -2.161100      -2.870100    
 C   -2.374800      0.2219000      -2.358200    
 C    1.634300       1.398400     -0.2487000    
 C    1.755800      0.8014000      -2.945500    
 C    2.646700       1.962200      -1.024300    
 C    2.705800       1.655300      -2.382800    
 C  -2.6500000E-02  -2.759900      0.7787000    
 C   -2.367100      0.5528000       1.227400    
 C    3.612000       2.848700     -0.3957000    
 C    2.476000       2.542300       1.758700    
 C    3.531400       3.120100      0.9088000    
 C    1.311100      -3.424500      0.8294000    
 C   -3.563500       1.401300      0.9406000    
 C    1.765100      -4.202700     -0.3700000    
 C    1.991300      -3.288100       1.982600    
 C   -3.342800       2.825200      0.5235000    
 C   -4.759100      0.8087000       1.115000    
 C    3.348700      -3.829100       2.302300    
 C   -6.109600       1.410500      0.8872000    
 H   -2.090500      -1.464100     -0.2028000    
 H   9.4599999E-02 -0.3973000      0.9988000    
 H   -1.160100      -2.977300      -2.845800    
 H   -2.826600      -2.517100      -2.426600    
 H   -2.068700      -1.949300      -3.931100    
 H   -1.998200       1.187200      -2.009100    
 H   -2.573500      0.3602000      -3.427900    
 H   -3.326300      9.4999997E-03  -1.861200    
 H    1.811100      0.5717000      -4.007000    
 H    3.483500       2.073600      -3.016900    
 H    4.397600       3.285100      -1.002800    
 H    4.249400       3.780800       1.382100    
 H    2.548900      -4.926900     -0.1342000    
 H   0.9315000      -4.775300     -0.7916000    
 H    2.143400      -3.524900      -1.141800    
 H    1.551400      -2.709600       2.793700    
 H   -2.513000       3.265300       1.087400    
 H   -3.102700       2.879800     -0.5425000    
 H   -4.213200       3.458900      0.7126000    
 H   -4.794900     -0.2311000       1.436800    
 H    3.984700      -3.019800       2.675600    
 H    3.856300      -4.270400       1.442100    
 H    3.270600      -4.589100       3.085600    
 H   -6.642100       1.499000       1.839000    
 H   -6.693200      0.7580000      0.2296000    
 H   -6.073300       2.396300      0.4185000    


%chk=000163334-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163334

0 1
O 0.385760 -0.776984 -2.926850
O 0.450367 -2.130498 -0.246615
O -1.646097 0.922950 -0.134947
O 0.883168 2.487939 0.634646
O -1.055761 -3.770929 0.464811
O -1.956973 0.088507 2.023863
O 1.083981 4.014337 2.360021
C -0.822577 -1.403517 -2.258316
C -0.689121 -1.301602 -0.718076
C -0.379824 0.120110 -0.203730
C 0.584891 0.858794 -1.090005
C 0.927076 0.376478 -2.379055
C -0.797323 -2.853156 -2.755177
C -2.069625 -0.647084 -2.761899
C 1.226468 2.036640 -0.640928
C 1.892294 1.045482 -3.188340
C 2.183957 2.736547 -1.432568
C 2.504923 2.208434 -2.718572
C 0.126555 -3.356097 0.382839
C -2.330936 0.855534 1.102261
C 2.775510 3.931543 -0.882890
C 1.470714 3.704016 1.218818
C 2.437938 4.393081 0.373210
C 1.359232 -4.029358 0.893579
C -3.498948 1.787310 1.121035
C 2.691305 -3.337944 0.689678
C 1.162709 -5.231110 1.521342
C -3.753277 2.645905 -0.100528
C -4.237086 1.790340 2.274530
C 2.198527 -6.127155 2.142783
C -5.444533 2.627695 2.595583
H -1.614164 -1.683260 -0.249373
H -0.000486 0.033116 0.830096
H 0.162002 -3.332306 -2.503113
H -1.613356 -3.431118 -2.288980
H -0.921336 -2.872817 -3.850998
H -2.064867 0.409842 -2.451635
H -2.102474 -0.701861 -3.863286
H -2.986029 -1.116114 -2.360909
H 2.125067 0.626436 -4.170772
H 3.242039 2.730375 -3.339278
H 3.510693 4.478058 -1.485649
H 2.879309 5.297413 0.798898
H 3.526849 -3.939306 1.082225
H 2.875196 -3.140509 -0.381406
H 2.703764 -2.354782 1.193568
H 0.121212 -5.580307 1.585100
H -2.882086 3.291778 -0.311045
H -3.907213 2.021592 -0.999523
H -4.639044 3.288127 0.029970
H -3.899600 1.105384 3.066690
H 1.985252 -6.266057 3.221120
H 3.227410 -5.746030 2.043401
H 2.156726 -7.136233 1.687474
H -5.243597 3.259734 3.483116
H -6.301573 1.979557 2.865038
H -5.756088 3.286579 1.769265


