%chk=000113640.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113640

0 1
 O    4.105700     -0.4548000      1.0400000E-02
 O   -4.424200      0.4826000     -5.2000000E-03
 O   -3.395500      -1.581600      3.1099999E-02
 O    5.537900       1.357300      5.5300001E-02
 C   0.4626000      0.4598000     -0.1031000    
 C  -0.8119000     -0.3899000     -0.1021000    
 C    1.712700     -0.4177000     -7.3299997E-02
 C   -2.081500      0.4613000     -9.8099999E-02
 C    2.984700      0.4174000     -3.1099999E-02
 C   -3.349600     -0.3605000     -2.6200000E-02
 C   -5.703500     -0.1514000      9.3500003E-02
 C    5.331200      0.1513000      5.1500000E-02
 C   -6.781100      0.9118000      0.1047000    
 C    6.412400     -0.8856000      9.2600003E-02
 H   0.4786000       1.097100     -0.9954000    
 H   0.4587000       1.123900      0.7698000    
 H  -0.8116000      -1.045000      0.7783000    
 H  -0.8171000      -1.048400     -0.9798000    
 H    1.736600      -1.075100     -0.9513000    
 H    1.688800      -1.083200      0.7988000    
 H   -2.118600       1.065700      -1.011500    
 H   -2.067200       1.131600      0.7691000    
 H    3.047000       1.050700     -0.9240000    
 H    2.985900       1.054600      0.8612000    
 H   -5.848600     -0.8164000     -0.7651000    
 H   -5.750800     -0.7363000       1.018800    
 H   -7.774500      0.4610000      0.1794000    
 H   -6.638800       1.595800      0.9479000    
 H   -6.734900       1.516800     -0.8067000    
 H    6.365200      -1.505800     -0.8059000    
 H    6.303300      -1.499000      0.9905000    
 H    7.387900     -0.3917000      0.1243000    


%chk=000113640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113640

0 1
O 4.175450 -0.472277 -0.036109
O -4.489878 0.494235 -0.018328
O -3.458456 -1.576710 0.263299
O 5.606174 1.367736 -0.002837
C 0.466255 0.468552 0.047662
C -0.821133 -0.384066 0.043825
C 1.745598 -0.399741 0.008973
C -2.092477 0.485601 0.071548
C 3.009575 0.459831 0.014857
C -3.371859 -0.335508 0.117652
C -5.823005 -0.183836 0.031814
C 5.440377 0.127287 -0.041293
C -6.876977 0.905781 -0.135591
C 6.524729 -0.927280 -0.100309
H 0.458857 1.156030 -0.823895
H 0.481239 1.111172 0.952805
H -0.825269 -1.066744 0.914388
H -0.838228 -1.033180 -0.852741
H 1.741734 -1.035495 -0.897109
H 1.764151 -1.082255 0.880085
H -2.141085 1.155755 -0.808020
H -2.088574 1.154531 0.955684
H 3.061388 1.134997 -0.859786
H 3.092849 1.077414 0.928708
H -5.859188 -0.938115 -0.775001
H -5.908215 -0.712385 0.998680
H -7.887086 0.457875 -0.106865
H -6.804586 1.651851 0.674135
H -6.755152 1.427006 -1.100441
H 6.413511 -1.535206 -1.014901
H 6.436954 -1.612428 0.760525
H 7.512125 -0.444127 -0.093014


