%chk=000157102.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157102

0 1
 O  -0.6294000     -5.5399999E-02 -8.8900000E-02
 O    3.425300      -2.610900      0.7036000    
 O    3.655200       1.940800     -0.5920000    
 O    1.049900      -3.619000       1.056200    
 C   -1.315800      -1.296400     -0.3153000    
 C  -0.9487000      -2.327800      0.7499000    
 C   0.7326000     -0.2015000     -3.1599998E-02
 C    1.365100      -1.394600      0.3301000    
 C    1.497900      0.9270000     -0.3285000    
 C   0.5402000      -2.556500      0.7207000    
 C   -2.805500      -1.025300     -0.3223000    
 C    2.759700      -1.472200      0.3630000    
 C   0.8348000       2.216700     -0.6958000    
 C    2.890700      0.8520000     -0.2950000    
 C    3.519800     -0.3461000      4.5200001E-02
 C   -3.648800      -1.788100      -1.129900    
 C   -3.333700     -1.3400000E-02  0.4790000    
 C   0.5515000       3.089300      0.5003000    
 C   -5.021100      -1.538600      -1.136300    
 C   -4.706000      0.2359000      0.4726000    
 C  -0.4649000       3.955800      0.6734000    
 C   -5.549700     -0.5268000     -0.3351000    
 C    3.750600      -3.512200     -0.3530000    
 C    4.029200       2.116300      -1.956700    
 C  -0.6881000       4.798100       1.897300    
 C   -1.490700       4.152800     -0.4111000    
 H   -1.025900      -1.652200      -1.315300    
 H   -1.456300      -3.279000      0.5548000    
 H   -1.212800      -1.984800       1.757200    
 H    1.455600       2.791700      -1.390800    
 H  -7.6399997E-02   1.996900      -1.262500    
 H    4.605800     -0.3984000      7.1199998E-02
 H   -3.249100      -2.580600      -1.756900    
 H   -2.700300      0.5872000       1.126000    
 H    1.274400       3.017500       1.313100    
 H   -5.678200      -2.132900      -1.764500    
 H   -5.118300       1.022200       1.098400    
 H   -6.618400     -0.3330000     -0.3394000    
 H    2.877800      -3.728800     -0.9772000    
 H    4.105200      -4.446600      9.0499997E-02
 H    4.551300      -3.091300     -0.9691000    
 H    3.201600       1.900400      -2.640000    
 H    4.876300       1.464000      -2.190400    
 H    4.339000       3.155500      -2.096900    
 H   7.1900003E-02   4.606800       2.661800    
 H  -0.6468000       5.862100       1.643300    
 H   -1.666600       4.579500       2.336600    
 H   -1.180800       3.786400      -1.392400    
 H   -2.427000       3.656600     -0.1357000    
 H   -1.697900       5.221300     -0.5402000    


%chk=000157102-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157102

0 1
O -0.669395 -0.020119 -0.441393
O 3.681502 -2.413021 0.072525
O 3.457805 2.245905 -1.085212
O 1.144658 -3.260337 1.448333
C -1.381180 -1.332416 -0.435990
C -0.886677 -2.127720 0.779240
C 0.732886 -0.101709 -0.413341
C 1.405738 -1.317729 -0.003469
C 1.405841 1.083198 -0.770821
C 0.634007 -2.322324 0.755357
C -2.869508 -1.052721 -0.419365
C 2.840875 -1.321509 -0.125941
C 0.662244 2.360119 -1.141819
C 2.829701 1.043102 -0.747357
C 3.538616 -0.143944 -0.464267
C -3.742197 -1.819596 -1.228567
C -3.410283 -0.065010 0.441675
C 0.595438 3.341674 0.022164
C -5.139408 -1.614769 -1.170256
C -4.804605 0.147748 0.492206
C -0.517871 3.876328 0.600557
C -5.674289 -0.629720 -0.308894
C 3.271349 -3.773784 -0.323772
C 4.924319 2.272292 -1.121899
C -0.391530 4.867878 1.748387
C -1.946050 3.571160 0.182498
H -1.099243 -1.866338 -1.368333
H -1.367002 -3.120418 0.829115
H -1.160145 -1.590251 1.708981
H 1.204965 2.845876 -1.975891
H -0.345735 2.099159 -1.498991
H 4.626314 -0.209936 -0.533047
H -3.329846 -2.577106 -1.906957
H -2.733808 0.545127 1.049594
H 1.578306 3.644388 0.412244
H -5.806211 -2.214867 -1.799305
H -5.214478 0.918790 1.154213
H -6.756771 -0.465341 -0.266372
H 2.738629 -4.259114 0.507677
H 4.214345 -4.290686 -0.562211
H 2.618303 -3.738480 -1.216364
H 5.316706 1.584134 -1.894468
H 5.352229 2.009674 -0.136214
H 5.183807 3.309316 -1.379412
H 0.663684 5.080812 1.992897
H -0.888356 5.828035 1.502402
H -0.885635 4.482145 2.662988
H -2.019976 2.727563 -0.521546
H -2.563693 3.326776 1.070062
H -2.414176 4.458167 -0.290244


