%chk=000158590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158590

0 1
 O    6.520600     -0.9790000      1.9300001E-02
 O    9.771400      6.8999999E-03  -1.134000    
 O    9.155600      -1.273300      0.6464000    
 C   -4.834600     -6.4099997E-02 -0.3266000    
 C   -3.670200      0.8394000      9.3300000E-02
 C   -6.208500      0.4991000      4.4599999E-02
 C   -2.265300      0.2825000     -0.1688000    
 C   -7.360700     -0.4485000     -0.3093000    
 C   -1.102300       1.156200      0.3122000    
 C   -8.736400      0.1257000      4.4900000E-02
 C   0.2746000      0.5251000      8.0499999E-02
 C   -9.890500     -0.8373000     -0.2475000    
 C    1.423600       1.423200      0.5564000    
 C   -11.26420     -0.2514000      8.0700003E-02
 C    2.782900      0.7827000      0.4137000    
 C   -12.37730      -1.238500     -0.2361000    
 C    3.311100      2.5500000E-02   1.459400    
 C    3.511000      0.9478000     -0.7646000    
 C    4.567100     -0.5664000       1.326900    
 C    4.767100      0.3561000     -0.8972000    
 C    5.295100     -0.4010000      0.1486000    
 C    7.467900     -0.3131000     -0.8142000    
 C    8.862000     -0.5978000     -0.3286000    
 H   -4.788600     -0.2303000      -1.409700    
 H   -4.710000      -1.044800      0.1492000    
 H   -3.767500       1.804400     -0.4197000    
 H   -3.761200       1.050100       1.166600    
 H   -6.235300      0.7075000       1.121300    
 H   -6.355100       1.457400     -0.4684000    
 H   -2.154200      0.1054000      -1.245900    
 H   -2.187300     -0.6993000      0.3151000    
 H   -7.219100      -1.399000      0.2194000    
 H   -7.329300     -0.6732000      -1.382500    
 H   -1.228000       1.359200       1.382800    
 H   -1.148600       2.124500     -0.2010000    
 H   -8.891200       1.056400     -0.5149000    
 H   -8.753500      0.3901000       1.109500    
 H   0.3998000      0.3052000     -0.9872000    
 H   0.3197000     -0.4381000      0.6044000    
 H   -9.861300      -1.117700      -1.307900    
 H   -9.742300      -1.759600      0.3278000    
 H    1.267200       1.698000       1.607700    
 H    1.407800       2.369600      3.0000001E-04
 H   -11.30910      1.6700000E-02   1.142400    
 H   -11.42250      0.6684000     -0.4942000    
 H   -12.37770      -1.501900      -1.298700    
 H   -12.26370      -2.158300      0.3464000    
 H   -13.35120     -0.8014000      5.7000001E-03
 H    2.752400     -0.1121000       2.381400    
 H    3.106100       1.529200      -1.588900    
 H    4.973200      -1.155400       2.144600    
 H    5.289400      0.4863000      -1.840300    
 H    7.369400     -0.6901000      -1.837500    
 H    7.343800      0.7763000     -0.7752000    
 H    10.69150     -0.1633000     -0.8394000    


%chk=000158590-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158590

0 1
O 6.680942 -0.585544 0.191047
O 9.513445 -0.940022 -2.048346
O 9.199146 -1.760308 0.111312
C -4.792827 -0.196204 0.075383
C -3.669159 0.811084 0.408385
C -6.208736 0.410998 0.196939
C -2.248425 0.218138 0.272522
C -7.338549 -0.578272 -0.167645
C -1.131861 1.240965 0.581559
C -8.749900 0.041681 -0.056260
C 0.290903 0.660689 0.424266
C -9.884273 -0.932778 -0.445643
C 1.402521 1.703392 0.729910
C -11.292372 -0.303209 -0.341290
C 2.806126 1.140563 0.565432
C -12.421527 -1.276843 -0.742547
C 3.416827 0.384770 1.604163
C 3.532769 1.315344 -0.635638
C 4.698334 -0.174532 1.450648
C 4.822888 0.761918 -0.814407
C 5.402960 0.014144 0.237597
C 7.441547 -0.407604 -1.029595
C 8.776079 -1.119803 -0.863710
H -4.646505 -0.579410 -0.956404
H -4.710495 -1.075840 0.747654
H -3.761452 1.692815 -0.260244
H -3.810859 1.190385 1.442233
H -6.362504 0.777682 1.233644
H -6.280112 1.303063 -0.460540
H -2.111897 -0.172845 -0.757498
H -2.146850 -0.654116 0.951467
H -7.275265 -1.469270 0.491726
H -7.181720 -0.947078 -1.203160
H -1.260390 1.624186 1.615883
H -1.245185 2.118373 -0.089732
H -8.804507 0.942220 -0.703766
H -8.912828 0.397429 0.982905
H 0.427315 0.278771 -0.607769
H 0.416309 -0.211709 1.097155
H -9.720753 -1.290620 -1.484017
H -9.836906 -1.832571 0.203212
H 1.260474 2.074564 1.764736
H 1.262829 2.573829 0.058784
H -11.457375 0.049210 0.697559
H -11.334605 0.599326 -0.985073
H -12.295925 -1.619712 -1.787132
H -12.420896 -2.173687 -0.094324
H -13.416451 -0.801463 -0.660377
H 2.881049 0.238740 2.550265
H 3.088082 1.898398 -1.451621
H 5.174186 -0.751828 2.249124
H 5.349934 0.925772 -1.759580
H 6.919488 -0.838336 -1.909295
H 7.638047 0.663776 -1.242472
H 10.392513 -1.398621 -1.964228


