%chk=000131867.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131867

0 1
 O   -1.017700     -0.7064000     -0.3115000    
 O    0.000000      0.5843000      -2.925800    
 O   -2.001000      -2.225300       1.096400    
 O   -4.010900      -1.639800      -1.563100    
 O   -6.672400       1.964500      5.3599998E-02
 C    2.276000      -1.406300      0.3132000    
 C    3.376400     -0.5124000      0.8608000    
 C    1.473800     -0.8531000     -0.8990000    
 C    2.966400      0.9626000      0.9271000    
 C   0.9387000      -1.488200       1.095600    
 C   0.2096000      -1.484200     -0.2612000    
 C    4.604900     -0.5223000     -5.8600001E-02
 C    5.314500      0.8296000      0.1709000    
 C    4.321400       1.679200      0.9977000    
 C    1.439900      0.6248000      -1.053600    
 C    2.709700      -2.853300     -4.0100001E-02
 C    2.119200       1.435100     -0.2291000    
 C    5.632500       1.505500      -1.170400    
 C    6.623600      0.6324000      0.9482000    
 C   0.6518000       1.241900      -2.124100    
 C   -2.055700      -1.200300      0.4246000    
 C   -3.260400     -0.3711000      0.3314000    
 C   -3.463800      0.6652000       1.237600    
 C   -4.194600     -0.6288000     -0.6674000    
 C   -4.612000       1.451300       1.144100    
 C   -5.342900      0.1574000     -0.7609000    
 C   -2.475300      0.9604000       2.318700    
 C   -5.551700       1.197400      0.1448000    
 H    3.679900     -0.8530000       1.859900    
 H    1.746600      -1.315600      -1.857500    
 H    2.398900       1.166000       1.843700    
 H   0.7123000     -0.6184000       1.723300    
 H   0.7934000      -2.385100       1.706200    
 H   1.4800000E-02  -2.488900     -0.6603000    
 H    5.252300      -1.377900      0.1668000    
 H    4.311000     -0.6256000      -1.110500    
 H    4.269200       2.719500      0.6560000    
 H    4.636500       1.713100       2.049100    
 H    1.885200      -3.505200     -0.3449000    
 H    3.440800      -2.859500     -0.8556000    
 H    3.182200      -3.320700      0.8316000    
 H    2.048000       2.513900     -0.3527000    
 H    6.123300       2.473100      -1.017400    
 H    4.724400       1.684300      -1.756000    
 H    6.301000      0.8830000      -1.775700    
 H    7.101800       1.594200       1.165000    
 H    7.334400      2.5000000E-02  0.3769000    
 H    6.446100      0.1243000       1.902800    
 H   0.6727000       2.343400      -2.175900    
 H   -4.785300       2.264700       1.844400    
 H   -6.071700     -4.5400001E-02  -1.541900    
 H   -1.507100       1.236200       1.887700    
 H   -2.799200       1.794000       2.951400    
 H   -2.346800      8.9900002E-02   2.970400    
 H   -3.174300      -2.101000      -1.390300    
 H   -7.210300       1.649400     -0.6931000    


%chk=000131867-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131867

0 1
O -0.805933 -0.476740 0.979486
O -0.517159 -0.874123 -2.328071
O -2.242233 -2.302081 1.227967
O -1.605897 1.813965 0.398845
O -6.339112 2.684089 0.122906
C 2.549054 -1.241261 0.927367
C 3.649474 -0.178805 0.718577
C 1.386034 -1.243806 -0.152314
C 3.122863 1.234634 0.317202
C 1.471149 -0.906153 2.036395
C 0.367039 -1.358746 1.047292
C 4.657924 -0.491008 -0.421439
C 5.377782 0.860021 -0.755683
C 4.392661 1.968783 -0.217887
C 1.249361 0.038195 -0.937022
C 3.144853 -2.649373 1.131343
C 2.016871 1.149758 -0.709056
C 5.616328 1.001364 -2.278769
C 6.734849 0.946678 -0.007664
C 0.220037 0.096802 -2.001271
C -2.128807 -1.075047 1.012143
C -3.186944 -0.075235 0.790057
C -4.574056 -0.480763 0.850394
C -2.889708 1.307916 0.491380
C -5.584373 0.469013 0.624585
C -3.923833 2.241778 0.265046
C -5.000251 -1.907086 1.146763
C -5.261614 1.816806 0.333473
H 4.209264 -0.078156 1.672916
H 1.345755 -2.109447 -0.836143
H 2.723360 1.781903 1.197919
H 1.403485 0.175517 2.245780
H 1.539944 -1.457246 2.988457
H 0.003731 -2.386358 1.205631
H 5.381762 -1.276549 -0.140478
H 4.104435 -0.855323 -1.309569
H 4.138121 2.704253 -1.003989
H 4.870344 2.529876 0.606748
H 2.356007 -3.393437 1.347347
H 3.686988 -2.990669 0.231375
H 3.853929 -2.655835 1.981247
H 1.824497 2.053798 -1.309221
H 6.132532 1.950740 -2.517634
H 4.658835 0.984936 -2.832707
H 6.240993 0.171573 -2.660728
H 7.202541 1.940202 -0.145413
H 7.443369 0.183794 -0.381943
H 6.604074 0.784504 1.079300
H 0.136515 1.084033 -2.523401
H -6.638227 0.181778 0.665544
H -3.644107 3.276841 0.041256
H -4.608125 -2.259011 2.116818
H -6.100719 -1.978155 1.158582
H -4.603497 -2.611794 0.395537
H -0.958082 1.056624 0.599346
H -6.023982 3.599835 -0.081323


