%chk=000096317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096317

0 1
 O  -0.5798000      -3.568100       1.182100    
 O   -2.510800      -3.721100     -2.4400000E-02
 O    1.510100      -3.010400       1.905000    
 C  -0.7915000      -2.107000     -0.6463000    
 C   0.6815000      -2.235800     -0.2640000    
 C   -1.422100     -0.7673000     -0.3243000    
 C    1.437400     -0.9357000     -0.1699000    
 C  -0.6745000      0.3296000     -3.6699999E-02
 C   0.8065000      0.2607000     -6.9899999E-02
 C   -1.411700      -3.221300      0.1629000    
 C   0.6217000      -2.937500       1.070900    
 C   -2.900700     -0.7150000     -0.4251000    
 C    2.909400      -1.064300     -0.2940000    
 C   -1.353600       1.626800      0.2279000    
 C    1.616700       1.507400     -3.8199998E-02
 C   -3.498700     -0.4424000      -1.650900    
 C    3.691200      -1.173500      0.8514000    
 C   -3.677200     -0.9390000      0.7069000    
 C    3.497300      -1.074700      -1.554900    
 C   -1.682000       2.457500     -0.8355000    
 C    2.015100       2.035300       1.183300    
 C   -1.650600       1.990800       1.534800    
 C    1.965300       2.129300      -1.230400    
 C   -4.889400     -0.3929000      -1.745900    
 C    5.076000      -1.294100      0.7349000    
 C   -5.068000     -0.8895000      0.6117000    
 C    4.882100      -1.195500      -1.671300    
 C   -2.318400       3.673700     -0.5876000    
 C    2.774700       3.204800       1.213200    
 C   -2.287100       3.207100       1.782600    
 C    2.725100       3.298700      -1.200400    
 C   -5.674100     -0.6164000     -0.6146000    
 C    5.671300      -1.305200     -0.5264000    
 C   -2.621000       4.048400      0.7213000    
 C    3.129800       3.836400      2.1500001E-02
 H  -0.9114000      -2.333900      -1.712800    
 H    1.167300      -2.924800     -0.9683000    
 H   -2.899700     -0.2680000      -2.541100    
 H    3.250400      -1.143200       1.843800    
 H   -3.219500      -1.150100       1.670000    
 H    2.894400     -0.9912000      -2.455600    
 H   -1.450000       2.180300      -1.860600    
 H    1.746100       1.553100       2.119600    
 H   -1.395500       1.344600       2.370700    
 H    1.654500       1.723000      -2.189500    
 H   -5.361400     -0.1804000      -2.700700    
 H    5.691100      -1.373700       1.626400    
 H   -5.679100      -1.062800       1.492700    
 H    5.345800      -1.203800      -2.653300    
 H   -2.577800       4.329100      -1.413800    
 H    3.089900       3.623400       2.164500    
 H   -2.522600       3.499000       2.801800    
 H    3.000900       3.790900      -2.128400    
 H   -6.757000     -0.5777000     -0.6885000    
 H    6.749600      -1.397800     -0.6171000    
 H   -3.116400       4.995400      0.9143000    
 H    3.721300       4.747000      4.4700000E-02


%chk=000096317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096317

0 1
O -0.809948 -3.648720 0.834804
O -2.410619 -3.919846 -0.847749
O 1.074911 -2.906834 2.009399
C -0.753345 -2.026636 -0.960078
C 0.674407 -2.187276 -0.385524
C -1.432685 -0.745405 -0.443225
C 1.505752 -0.927803 -0.265899
C -0.651750 0.292129 0.036248
C 0.840708 0.258155 -0.028463
C -1.461765 -3.275807 -0.402742
C 0.417724 -2.887850 0.971609
C -2.921160 -0.689873 -0.565511
C 2.983636 -1.091104 -0.362854
C -1.298376 1.572946 0.496947
C 1.581277 1.569205 -0.001045
C -3.542833 -0.993381 -1.808468
C 3.860823 -0.527978 0.604259
C -3.751926 -0.372645 0.543473
C 3.553030 -1.857580 -1.419175
C -1.773592 2.519531 -0.444097
C 1.781380 2.306041 1.193796
C -1.434250 1.854888 1.879854
C 2.097889 2.090280 -1.215747
C -4.945487 -0.945899 -1.947769
C 5.254987 -0.715036 0.511190
C -5.155351 -0.337416 0.407630
C 4.949057 -2.037865 -1.518103
C -2.372813 3.723414 -0.012069
C 2.482736 3.531014 1.175600
C -2.037853 3.055267 2.314454
C 2.797206 3.317209 -1.237150
C -5.759434 -0.616750 -0.839621
C 5.808270 -1.467298 -0.551207
C -2.508017 3.995742 1.368577
C 2.992157 4.043227 -0.040136
H -0.792564 -2.069297 -2.064246
H 1.218995 -2.942655 -0.986276
H -2.929397 -1.257394 -2.677536
H 3.442896 0.035556 1.442778
H -3.296083 -0.165239 1.515761
H 2.905992 -2.289750 -2.193406
H -1.675692 2.309230 -1.515080
H 1.395120 1.917441 2.141972
H -1.078019 1.124672 2.616878
H 1.954342 1.525973 -2.144388
H -5.402558 -1.174267 -2.916884
H 5.910285 -0.280574 1.274150
H -5.776669 -0.096522 1.277221
H 5.364675 -2.620293 -2.347918
H -2.736118 4.445411 -0.751937
H 2.630607 4.084517 2.109611
H -2.142282 3.254649 3.386987
H 3.190535 3.702911 -2.184463
H -6.849651 -0.588380 -0.944428
H 6.892038 -1.611331 -0.621478
H -2.975309 4.928517 1.703633
H 3.535011 4.994980 -0.053659


