%chk=000088749.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088749

0 1
 O    4.814500      0.2424000     -0.3043000    
 O   -4.897700      0.2174000      0.5295000    
 O    7.601100      4.6900000E-02 -0.5098000    
 O   -6.856200      0.1106000      -1.446100    
 C   0.6791000      0.2319000      5.1300000E-02
 C  -0.7625000      0.2282000      0.1738000    
 C    1.399400       1.395000      0.3230000    
 C   -1.485400       1.398000     -5.9400000E-02
 C    1.348600     -0.9278000     -0.3394000    
 C   -1.429200     -0.9453000      0.5262000    
 C    3.458600      0.2389000     -0.1869000    
 C   -3.542000      0.2208000      0.4121000    
 C    2.789200       1.398600      0.2037000    
 C   -2.875200       1.394300      5.9900001E-02
 C    2.738400     -0.9243000     -0.4584000    
 C   -2.819000     -0.9489000      0.6452000    
 C    5.491400     -0.9882000     -5.2800000E-02
 C   -5.571900      -1.005900      0.2377000    
 C    6.882400     -0.6893000      0.4724000    
 C   -6.963600     -0.6932000     -0.2775000    
 H   0.9246000       2.312600      0.6596000    
 H   -1.012800       2.327200     -0.3656000    
 H   0.8267000      -1.845700     -0.5962000    
 H  -0.9052000      -1.870000      0.7528000    
 H    3.346200       2.305500      0.4228000    
 H   -3.434400       2.306500     -0.1295000    
 H    3.218000      -1.837600     -0.7979000    
 H   -3.296600      -1.874000      0.9543000    
 H    4.974600      -1.590900      0.7043000    
 H    5.556600      -1.545800     -0.9942000    
 H   -5.047600      -1.564400     -0.5486000    
 H   -5.637700      -1.613100       1.146800    
 H    7.431700      -1.608000      0.6985000    
 H    6.833900     -7.1099997E-02   1.373700    
 H   -7.541200     -0.1303000      0.4624000    
 H   -7.505600      -1.608600     -0.5304000    
 H    7.663800     -0.5091000      -1.305200    
 H   -6.362600      0.9129000      -1.204500    


%chk=000088749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088749

0 1
O 4.980160 0.207915 0.384017
O -5.017331 0.293568 -0.069233
O 7.744485 0.382957 -0.757626
O -7.489439 -0.099358 -1.458332
C 0.725040 0.128931 0.186444
C -0.763150 0.142959 0.131500
C 1.460989 1.285183 0.579134
C -1.478112 1.326648 -0.213829
C 1.466761 -1.033446 -0.148737
C -1.525898 -1.019382 0.418364
C 3.582476 0.106239 0.294030
C -3.618510 0.172042 0.015389
C 2.864328 1.280215 0.632215
C -2.881891 1.347333 -0.270987
C 2.877780 -1.058902 -0.098364
C -2.936716 -1.018951 0.363524
C 5.772299 -0.972585 0.025337
C -5.837964 -0.905190 0.196575
C 7.251841 -0.621275 0.185874
C -7.280098 -0.469885 -0.057749
H 0.924869 2.193375 0.875857
H -0.925760 2.237115 -0.470946
H 0.938155 -1.931590 -0.487869
H -1.013802 -1.939131 0.722713
H 3.426056 2.167064 0.940910
H -3.424594 2.257600 -0.544260
H 3.404017 -1.977695 -0.374217
H -3.481783 -1.936354 0.604233
H 5.517316 -1.818694 0.699470
H 5.546483 -1.278933 -1.020267
H -5.549020 -1.716434 -0.501021
H -5.695153 -1.242078 1.243922
H 7.838936 -1.563695 0.110661
H 7.421778 -0.177412 1.180059
H -7.538892 0.368141 0.622502
H -7.966590 -1.311684 0.134063
H 7.523046 0.105793 -1.682747
H -6.809710 0.585797 -1.687308


