%chk=000137316.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137316

0 1
 O   -8.672700      -3.388500     -0.3514000    
 O   -8.912300      -1.160800      1.3600000E-02
 C    1.582800       3.866400      3.1300001E-02
 C   0.2304000       3.548600      0.5987000    
 C   0.3504000       4.450500     -0.5945000    
 C    2.336800       2.798200     -0.7000000    
 C  -0.3255000       2.184700      0.4211000    
 C    3.177700       1.911300      0.2203000    
 C   -1.859500       2.146500      0.3429000    
 C    3.957500      0.8316000     -0.5353000    
 C   -2.412200      0.7231000      0.2236000    
 C    4.762600     -4.6200000E-02  0.4271000    
 C   -3.941600      0.6709000      0.1378000    
 C    5.566800      -1.104600     -0.3303000    
 C   -4.557400     -0.7306000      7.1000002E-02
 C    6.398100      -2.012100      0.5839000    
 C   -6.089600     -0.7212000      4.8000000E-02
 C    7.179600      -3.139300     -0.1172000    
 C   -6.677800      -2.124400     -0.1099000    
 C    8.164100      -2.536200      -1.123200    
 C    7.932600      -4.030200      0.8713000    
 C   -8.190500      -2.137700     -0.1289000    
 H    2.227400       4.532800      0.5907000    
 H  -3.8400002E-02   3.994600       1.548100    
 H   0.1634000       5.507400     -0.4458000    
 H   3.3799998E-02   4.079500      -1.561800    
 H    3.028200       3.315800      -1.379300    
 H    1.714800       2.191700      -1.364500    
 H   3.4000002E-02   1.679400     -0.4778000    
 H  -1.0000000E-03   1.569800       1.269800    
 H    2.524200       1.433000      0.9598000    
 H    3.877300       2.538500      0.7873000    
 H   -2.278600       2.626200       1.236300    
 H   -2.194100       2.741500     -0.5160000    
 H    4.632800       1.307400      -1.256500    
 H    3.260000      0.2072000      -1.106400    
 H   -2.082900      0.1356000       1.089300    
 H   -1.989300      0.2411000     -0.6662000    
 H    5.445300      0.5794000       1.014600    
 H    4.083600     -0.5375000       1.134300    
 H   -4.264500       1.240200     -0.7430000    
 H   -4.356600       1.191100       1.010700    
 H    6.226100     -0.5903000      -1.038300    
 H    4.883100      -1.725100     -0.9226000    
 H   -4.214600      -1.316000      0.9329000    
 H   -4.182600      -1.238300     -0.8262000    
 H    5.723900      -2.468900       1.320300    
 H    7.097300      -1.389500       1.157600    
 H   -6.438900     -8.7399997E-02 -0.7768000    
 H   -6.465800     -0.2651000      0.9721000    
 H    6.468500      -3.769500     -0.6659000    
 H   -6.347000      -2.757600      0.7208000    
 H   -6.325100      -2.562700      -1.050500    
 H    8.788000      -3.319100      -1.568800    
 H    7.644100      -2.039600      -1.947800    
 H    8.829700      -1.809100     -0.6457000    
 H    8.673800      -3.456000       1.437400    
 H    8.454500      -4.839500      0.3498000    
 H    7.238800      -4.484800       1.586100    
 H   -9.653300      -3.403000     -0.3753000    


%chk=000137316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137316

0 1
O -8.959869 -3.391809 -0.230752
O -9.204602 -1.147412 0.307591
C 1.581259 3.836806 0.032518
C 0.172861 3.439600 0.523083
C 0.335096 4.449925 -0.629445
C 2.491615 2.873341 -0.724711
C -0.441084 2.063794 0.278328
C 3.274166 1.920346 0.210789
C -1.987744 2.085599 0.331496
C 4.189050 0.933264 -0.547067
C -2.621403 0.695500 0.102658
C 4.971249 -0.015571 0.389077
C -4.163460 0.701262 0.202357
C 5.847172 -1.042416 -0.364437
C -4.793684 -0.691885 -0.020183
C 6.627338 -1.978265 0.587217
C -6.333047 -0.682235 0.104816
C 7.394255 -3.134062 -0.110330
C -6.942927 -2.078945 -0.118913
C 8.495364 -2.612814 -1.065602
C 8.002283 -4.091641 0.942335
C -8.452513 -2.102725 0.016646
H 2.129775 4.505060 0.710977
H -0.119424 3.875743 1.488445
H 0.101380 5.504471 -0.453370
H 0.083755 4.098483 -1.637365
H 3.210739 3.459597 -1.334434
H 1.900248 2.273732 -1.445831
H -0.119802 1.670302 -0.706726
H -0.064557 1.347747 1.039294
H 2.553077 1.351632 0.832646
H 3.885147 2.521133 0.916803
H -2.312316 2.479178 1.317397
H -2.366626 2.799961 -0.427804
H 4.905300 1.502708 -1.176221
H 3.573568 0.330196 -1.247815
H -2.209765 -0.019791 0.845893
H -2.318628 0.313543 -0.895052
H 5.612382 0.585415 1.067949
H 4.254332 -0.557777 1.041193
H -4.577795 1.414795 -0.539980
H -4.463257 1.083540 1.200347
H 6.551895 -0.499341 -1.025686
H 5.200825 -1.653229 -1.030043
H -4.365987 -1.405903 0.715016
H -4.503846 -1.067977 -1.023917
H 5.912070 -2.417621 1.314567
H 7.348134 -1.379052 1.184539
H -6.765605 0.028945 -0.624965
H -6.626683 -0.308922 1.104525
H 6.659199 -3.708445 -0.715077
H -6.528963 -2.813090 0.600745
H -6.685683 -2.471849 -1.122157
H 9.044406 -3.452647 -1.531359
H 8.077362 -1.993614 -1.879488
H 9.229456 -1.995887 -0.511154
H 8.744686 -3.560068 1.569231
H 8.517489 -4.943962 0.460859
H 7.223203 -4.498958 1.613923
H -9.950660 -3.374505 -0.130774


