%chk=000057939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057939

0 1
 O  -0.7767000      0.2637000      0.1541000    
 O   -2.283500      -1.069700     -0.9749000    
 C    1.610800      2.0900000E-02  0.2262000    
 C    2.795700     -0.8496000     -0.2134000    
 C    1.793400       1.470200     -0.2441000    
 C    4.127600     -0.2658000      0.2526000    
 C    3.126900       2.050300      0.2217000    
 C    4.301600       1.177600     -0.2094000    
 C   0.2957000     -0.5543000     -0.2966000    
 C   9.6100003E-02  -1.925400      0.1814000    
 C   -2.027800     -0.1090000     -0.2620000    
 C   -3.046900      0.8566000      0.2986000    
 C   -4.465700      0.5139000     -0.1488000    
 C  -6.2700003E-02  -3.051000      0.5677000    
 C   -5.484700       1.471600      0.4470000    
 H    1.579600      3.6600001E-02   1.325800    
 H    2.807300     -0.9419000      -1.307200    
 H    2.715700      -1.864400      0.1914000    
 H   0.9846000       2.104100      0.1377000    
 H    1.743700       1.516900      -1.339600    
 H    4.952400     -0.8768000     -0.1313000    
 H    4.181500     -0.3078000       1.347500    
 H    3.122700       2.143000       1.314700    
 H    3.250700       3.060700     -0.1838000    
 H    5.233500       1.585700      0.1979000    
 H    4.392500       1.202400      -1.302300    
 H   0.3061000     -0.5388000      -1.394800    
 H   -2.983600      0.8198000       1.391900    
 H   -2.785900       1.865300     -4.0700000E-02
 H   -4.530900      0.5481000      -1.242900    
 H   -4.715800     -0.5109000      0.1510000    
 H  -0.2037000      -4.049300      0.9105000    
 H   -6.493100       1.208400      0.1126000    
 H   -5.468300       1.431300       1.540800    
 H   -5.282200       2.501800      0.1376000    


%chk=000057939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057939

0 1
O -0.885873 -0.420335 0.633447
O -1.835346 -0.289376 -1.503056
C 1.566177 -0.205295 0.358749
C 2.877422 -0.895139 -0.103131
C 1.407517 1.176141 -0.324025
C 4.107108 0.007835 0.156118
C 2.637545 2.078472 -0.068217
C 3.948108 1.390392 -0.518048
C 0.337028 -1.104759 0.063685
C 0.405853 -2.441325 0.669009
C -1.910808 -0.089859 -0.269801
C -3.086959 0.513186 0.479512
C -4.056526 1.289427 -0.435699
C 0.474237 -3.563837 1.172227
C -5.282511 1.814165 0.339963
H 1.617238 -0.058610 1.457628
H 2.810110 -1.115163 -1.189854
H 2.999217 -1.864229 0.415572
H 0.489880 1.673257 0.041713
H 1.281622 1.026466 -1.417010
H 5.023207 -0.494916 -0.209425
H 4.232511 0.147755 1.249935
H 2.701911 2.310622 1.015277
H 2.509552 3.044188 -0.594314
H 4.818770 2.033219 -0.284396
H 3.930853 1.258648 -1.619879
H 0.182262 -1.183643 -1.032482
H -3.620974 -0.321578 0.978612
H -2.698613 1.150418 1.295356
H -3.518141 2.133369 -0.907832
H -4.378263 0.630191 -1.262547
H 0.525579 -4.544242 1.609125
H -5.966472 2.368159 -0.327980
H -5.855058 0.982448 0.792692
H -4.981564 2.498149 1.155975


