%chk=000100939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100939

0 1
 O   -2.494600       3.066500     -8.6599998E-02
 C  -0.5144000     -0.1063000     -3.0700000E-02
 C   0.9568000     -0.4956000     -0.1206000    
 C   8.8699996E-02 -0.4786000      -1.351800    
 C   -1.274700      -1.330600      0.5043000    
 C  -0.3250000      -2.392700     -0.1954000    
 C    1.096600      -1.959200      0.2716000    
 C  -0.2803000      -1.905800      -1.678100    
 C    2.074600      0.5071000      0.1243000    
 C  -0.9226000       1.309300      0.2878000    
 C    1.512600       1.803700      0.7590000    
 C   0.2378000       2.299900      8.5000001E-02
 C   -2.721200      -1.455100      1.6300000E-02
 C   -1.258500      -1.417300       2.036200    
 C    3.127200     -5.1700000E-02   1.108700    
 C    2.816300      0.8257000      -1.189900    
 C   -2.119200       1.780900     -0.5401000    
 H   0.1902000      0.2197000      -2.159000    
 H  -0.5754000      -3.443600     -4.5400001E-02
 H    1.257900      -2.118100       1.339700    
 H    1.886900      -2.462800     -0.2955000    
 H   0.5012000      -2.405600      -2.259500    
 H   -1.234100      -1.990800      -2.202300    
 H   -1.196500       1.358100       1.349900    
 H    2.271500       2.595800      0.7266000    
 H    1.291000       1.633300       1.821600    
 H  -2.6200000E-02   3.272500      0.5182000    
 H   0.4209000       2.475900     -0.9814000    
 H   -3.082200      -2.481900      0.1425000    
 H   -3.389700     -0.8065000      0.5930000    
 H   -2.847300      -1.179600      -1.034400    
 H   -1.527000      -2.424800       2.371200    
 H  -0.2896000      -1.156900       2.471800    
 H   -1.979500     -0.7166000       2.473100    
 H    3.618900     -0.9453000      0.7080000    
 H    3.909800      0.6882000       1.313800    
 H    2.672300     -0.3243000       2.067800    
 H    3.194200     -9.1100000E-02  -1.657200    
 H    2.172800       1.322200      -1.922200    
 H    3.671600       1.487500      -1.012200    
 H   -2.983600       1.127500     -0.4222000    
 H   -1.874700       1.834400      -1.606500    
 H   -3.249300       3.353800     -0.6281000    


%chk=000100939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100939

0 1
O -2.498657 3.173647 0.019484
C -0.531695 -0.090686 -0.035810
C 0.982692 -0.474296 -0.131531
C 0.084407 -0.466050 -1.406015
C -1.282046 -1.360163 0.477838
C -0.323337 -2.408611 -0.215708
C 1.090704 -1.965856 0.255625
C -0.287124 -1.926988 -1.700745
C 2.129013 0.534052 0.125823
C -0.923145 1.347841 0.296061
C 1.549822 1.878200 0.676180
C 0.243850 2.328331 -0.005495
C -2.742130 -1.514336 -0.023275
C -1.286426 -1.456811 2.022672
C 3.113660 -0.026755 1.188720
C 2.928019 0.795238 -1.182029
C -2.198381 1.800734 -0.439009
H 0.219278 0.271714 -2.200248
H -0.588242 -3.464410 -0.046544
H 1.267644 -2.134115 1.330547
H 1.887882 -2.490206 -0.306491
H 0.494107 -2.454704 -2.279996
H -1.247065 -2.043175 -2.232771
H -1.136532 1.413190 1.384812
H 2.323657 2.665786 0.576078
H 1.350724 1.763369 1.762246
H -0.048931 3.334153 0.342500
H 0.389127 2.407102 -1.103500
H -3.074328 -2.564239 0.093051
H -3.435646 -0.885949 0.565554
H -2.857415 -1.237262 -1.085138
H -1.655543 -2.445963 2.354922
H -0.285279 -1.298705 2.458111
H -1.956832 -0.690370 2.455517
H 3.618392 -0.944413 0.834893
H 3.894424 0.725106 1.411751
H 2.592925 -0.262523 2.135460
H 3.265696 -0.155552 -1.634979
H 2.316224 1.325649 -1.934105
H 3.821718 1.415070 -0.975539
H -3.048172 1.131654 -0.203630
H -2.023404 1.785134 -1.537149
H -3.329433 3.487372 -0.416841


