%chk=000161504.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161504

0 1
 O    3.110800     -0.5154000       1.985800    
 O   -5.000000     -0.7894000       2.017000    
 C    1.227800      0.8494000      0.2746000    
 C  -9.2699997E-02  0.9903000     -0.4895000    
 C    2.118800     -0.2979000     -0.2617000    
 C  -0.8928000     -0.3403000     -0.3667000    
 C   -2.220500     -0.2342000      -1.171800    
 C    1.335700      -1.609600     -7.8900002E-02
 C  -3.7900001E-02  -1.565500     -0.7729000    
 C   -3.066600      0.9802000     -0.7109000    
 C    3.372300     -0.1000000      0.6422000    
 C  -0.9262000       2.172500      2.0600000E-02
 C    2.174900       2.045000      0.3246000    
 C   -2.250000       2.278600     -0.7309000    
 C    3.550400       1.438400      0.6730000    
 C   -3.092100      -1.504000      -1.133100    
 C    2.495400     -0.1315000      -1.762500    
 C   -3.714400      0.7423000      0.6649000    
 C   -3.717900      -1.749200      0.2351000    
 C   -4.536300     -0.5460000      0.6932000    
 C    4.585200     -0.7793000      0.1679000    
 C    5.576200      -1.334500     -0.2201000    
 H   0.9577000      0.6281000       1.320100    
 H   0.1168000       1.182700      -1.548800    
 H   -1.138400     -0.4790000      0.6950000    
 H   -1.947700     -6.9399998E-02  -2.224200    
 H    1.171300      -1.810900      0.9871000    
 H    1.913800      -2.457300     -0.4661000    
 H   8.9800000E-02  -1.586400      -1.861100    
 H  -0.5640000      -2.489400     -0.5075000    
 H   -3.887200       1.108100      -1.431500    
 H  -0.3734000       3.109500     -0.1149000    
 H   -1.110900       2.071500       1.096600    
 H    1.864700       2.777600       1.076900    
 H    2.220800       2.562300     -0.6404000    
 H   -2.841100       3.104600     -0.3180000    
 H   -2.038600       2.543000      -1.775300    
 H    4.286600       1.786800     -6.1900001E-02
 H    3.878800       1.793900       1.656700    
 H   -2.526900      -2.385700      -1.449800    
 H   -3.899500      -1.393800      -1.869700    
 H    3.082000     -0.9889000      -2.112100    
 H    1.622100     -7.1500003E-02  -2.416600    
 H    3.090500      0.7677000      -1.950500    
 H   -2.959800      0.7111000       1.459900    
 H   -4.366800       1.586200      0.9239000    
 H   -4.363600      -2.635100      0.1955000    
 H   -2.942600      -1.987200      0.9736000    
 H   -5.418000     -0.4334000      5.1899999E-02
 H    3.883700     -0.2895000       2.531400    
 H   -4.224100     -0.8821000       2.595900    
 H    6.455100      -1.827100     -0.5649000    


%chk=000161504-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161504

0 1
O 2.985285 -0.542087 1.974130
O -5.167085 -0.805569 2.063017
C 1.240787 0.891878 0.232884
C -0.097568 1.024022 -0.515991
C 2.128367 -0.274139 -0.306284
C -0.887630 -0.321816 -0.384657
C -2.236422 -0.229753 -1.166882
C 1.365710 -1.606679 -0.136008
C -0.026287 -1.538934 -0.824506
C -3.101416 0.981446 -0.691511
C 3.393227 -0.081917 0.612931
C -0.946827 2.207221 0.004218
C 2.203530 2.105184 0.286225
C -2.295590 2.304682 -0.743129
C 3.598050 1.479927 0.626062
C -3.099774 -1.520964 -1.120755
C 2.561082 -0.083689 -1.784699
C -3.730185 0.726117 0.707499
C -3.707282 -1.783493 0.279772
C -4.552941 -0.577985 0.736885
C 4.597393 -0.823100 0.204794
C 5.621720 -1.446146 -0.082094
H 1.000736 0.624489 1.283834
H 0.100281 1.205948 -1.596716
H -1.105835 -0.450234 0.698922
H -1.967155 -0.046155 -2.231589
H 1.240879 -1.806002 0.943957
H 1.948684 -2.448831 -0.558835
H 0.092278 -1.517714 -1.927864
H -0.566152 -2.476971 -0.593461
H -3.948615 1.073206 -1.406819
H -0.387263 3.154879 -0.118991
H -1.118142 2.083815 1.093784
H 1.893132 2.851043 1.038024
H 2.237133 2.619774 -0.693361
H -2.906707 3.131722 -0.329310
H -2.093476 2.557480 -1.804874
H 4.369876 1.777237 -0.105391
H 3.959267 1.786118 1.624465
H -2.518024 -2.399436 -1.454650
H -3.931207 -1.408051 -1.847774
H 3.233356 -0.906096 -2.088322
H 1.691672 -0.094543 -2.462402
H 3.099554 0.865912 -1.950749
H -2.939902 0.665672 1.484379
H -4.387086 1.573106 0.984098
H -4.341458 -2.689556 0.266733
H -2.899508 -1.962905 1.020750
H -5.431807 -0.475541 0.072871
H 3.786853 -0.521219 2.556958
H -4.436446 -0.914630 2.725028
H 6.510133 -1.990423 -0.343494


