%chk=000104796.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104796

0 1
 O    4.173900     -0.3567000       1.915400    
 O   0.1149000      -2.713200     -0.4335000    
 O   -5.514400      0.4010000       1.093700    
 C    2.069000      0.7904000      0.2143000    
 C    2.814400     -0.5210000     -0.1115000    
 C   0.6655000      0.8387000     -0.4049000    
 C  -0.1816000     -0.3477000      0.1476000    
 C   -1.656600     -0.3617000     -0.4029000    
 C    4.197600     -0.2141000      0.4979000    
 C    3.069200       1.877900     -0.1694000    
 C    2.037500      -1.676300      0.5227000    
 C  -3.0200001E-02   2.170200     -9.7099997E-02
 C    4.447100       1.266000      0.1464000    
 C   0.6047000      -1.673000      2.4000001E-03
 C   -2.270900       1.038400     -0.2370000    
 C   -1.430600       2.207900     -0.6927000    
 C    2.992200     -0.7952000      -1.626700    
 C   -2.483800      -1.393500      0.4205000    
 C   -1.717800     -0.7251000      -1.903900    
 C   -3.988200      -1.242100      0.2572000    
 C   -3.498700       1.270000      0.2579000    
 C   -4.413300      0.1589000      0.6038000    
 H    1.939800      0.8615000       1.306700    
 H   0.7574000      0.7519000      -1.493600    
 H  -0.2553000     -0.2036000       1.238000    
 H    4.997500     -0.8536000      0.1102000    
 H    2.906800       2.798900      0.4001000    
 H    2.999800       2.132800      -1.232900    
 H    1.978000      -1.596200       1.613700    
 H    2.506700      -2.638100      0.2867000    
 H   0.5485000       3.004900     -0.5093000    
 H  -8.4899999E-02   2.326300      0.9881000    
 H    5.088600       1.351300     -0.7379000    
 H    4.931100       1.802700      0.9694000    
 H   -1.365000       2.194500      -1.787700    
 H   -1.898700       3.163600     -0.4261000    
 H    3.490800      2.6699999E-02  -2.149300    
 H    3.605500      -1.691500      -1.778400    
 H    2.040100     -0.9708000      -2.136600    
 H   -2.245900      -1.283300       1.488000    
 H   -2.216200      -2.420300      0.1503000    
 H   -1.048900     -0.1050000      -2.508700    
 H   -1.445400      -1.768800      -2.085500    
 H   -2.727500     -0.5880000      -2.308800    
 H   -4.494500      -1.936800      0.9365000    
 H   -4.312200      -1.467200     -0.7637000    
 H   -3.891300       2.275200      0.3702000    
 H    4.165500      -1.308800       2.112400    


%chk=000104796-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104796

0 1
O 4.240937 -0.380189 1.971433
O 0.107989 -2.689696 -0.561132
O -5.648255 0.337937 1.086166
C 2.090776 0.817305 0.150887
C 2.821325 -0.531552 -0.120551
C 0.672449 0.880819 -0.449718
C -0.186709 -0.316438 0.108487
C -1.676172 -0.349325 -0.409909
C 4.228622 -0.244448 0.499562
C 3.132411 1.885153 -0.260546
C 2.003647 -1.663575 0.553215
C -0.029577 2.213666 -0.111731
C 4.495222 1.259464 0.189369
C 0.581504 -1.654756 -0.018114
C -2.296520 1.046885 -0.204783
C -1.479293 2.246561 -0.648633
C 3.016604 -0.845497 -1.626994
C -2.465905 -1.405852 0.426861
C -1.752250 -0.690707 -1.934274
C -3.996704 -1.289588 0.286462
C -3.562434 1.222448 0.294476
C -4.490517 0.117029 0.613367
H 1.986013 0.884438 1.257665
H 0.736904 0.794520 -1.554293
H -0.238767 -0.129510 1.208159
H 4.999211 -0.911849 0.060737
H 2.952957 2.860310 0.223769
H 3.110374 2.053958 -1.354589
H 1.959059 -1.470237 1.644091
H 2.434005 -2.666735 0.378801
H 0.541101 3.057925 -0.542879
H -0.035992 2.352796 0.988956
H 5.278434 1.379587 -0.579008
H 4.866532 1.727650 1.117130
H -1.436686 2.255429 -1.759139
H -1.985942 3.180806 -0.345773
H 3.597104 -0.057145 -2.138183
H 3.565827 -1.798233 -1.745677
H 2.056770 -0.958625 -2.160807
H -2.203209 -1.272214 1.496944
H -2.134135 -2.415458 0.133988
H -1.171773 0.022592 -2.546313
H -1.359795 -1.704425 -2.112062
H -2.798397 -0.648380 -2.286075
H -4.518076 -2.010365 0.940959
H -4.310713 -1.525086 -0.751211
H -3.967190 2.233504 0.436515
H 4.239431 -1.342798 2.206397


