%chk=000047421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047421

0 1
 O   -2.080000       2.390100      0.4673000    
 O   -3.878700      0.7426000       1.555500    
 O   -4.397300      -1.564000      5.7999998E-02
 C   -3.119300       1.915600     -0.3951000    
 C   -1.663600       1.615300     -0.6673000    
 C   -3.975900      0.8075000      0.1316000    
 C   -1.154200      0.2137000     -0.3970000    
 C   -3.573400     -0.5405000     -0.4957000    
 C   -2.092800     -0.8495000     -0.3136000    
 C   0.2326000     -6.7000002E-02 -0.2252000    
 C   -1.648000      -2.160500     -0.1192000    
 C   0.6550000      -1.399500     -7.4999998E-03
 C  -0.2914000      -2.429300      3.5999998E-02
 C    1.225100      0.9377000     -0.2615000    
 C    2.020000      -1.688500      0.1606000    
 C    2.592100      0.6522000     -9.2699997E-02
 C    2.994700     -0.6806000      0.1213000    
 C    3.565500       1.665100     -0.1320000    
 C    4.359300     -0.9699000      0.2903000    
 C    4.916900       1.363100      3.7599999E-02
 C    5.313400      4.6599999E-02  0.2485000    
 H   -3.636300       2.623800      -1.026400    
 H   -1.221300       2.153000      -1.500600    
 H   -5.027200       1.019300     -9.4999999E-02
 H   -3.762500     -0.5159000      -1.576800    
 H   -2.348700      -2.990300     -8.4100001E-02
 H   -4.415300     -1.3700000E-02   1.848500    
 H   1.8800000E-02  -3.460600      0.1937000    
 H   0.9343000       1.975600     -0.4219000    
 H   -5.321700      -1.334600     -0.1381000    
 H    2.331000      -2.720400      0.3264000    
 H    3.277700       2.701600     -0.2958000    
 H    4.690900      -1.992800      0.4566000    
 H    5.658400       2.155900      4.8000002E-03
 H    6.365100     -0.1902000      0.3806000    


%chk=000047421-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047421

0 1
O -2.057565 2.426666 0.594936
O -4.175047 0.801654 1.502172
O -4.386023 -1.590438 0.166300
C -3.088889 1.957805 -0.384384
C -1.652793 1.605417 -0.637942
C -4.061432 0.849752 0.052905
C -1.181592 0.217643 -0.368358
C -3.598790 -0.527754 -0.504798
C -2.120000 -0.817474 -0.272233
C 0.232085 -0.055589 -0.204982
C -1.690626 -2.165744 -0.028812
C 0.660264 -1.433806 0.015363
C -0.340439 -2.464864 0.101356
C 1.216903 0.963216 -0.242227
C 2.039123 -1.724743 0.155157
C 2.596694 0.673410 -0.098446
C 3.023007 -0.708746 0.096625
C 3.600536 1.707119 -0.137062
C 4.429799 -0.990421 0.235115
C 4.950131 1.398058 0.000511
C 5.369940 0.033916 0.187202
H -3.535947 2.779550 -0.958241
H -1.092608 2.201402 -1.369390
H -5.058761 1.071860 -0.393889
H -3.805562 -0.549362 -1.597764
H -2.453855 -2.943129 0.057760
H -4.397690 -0.143532 1.728723
H -0.018223 -3.497415 0.280016
H 0.914589 2.009678 -0.359295
H -5.291940 -1.627974 -0.232647
H 2.349341 -2.764463 0.319655
H 3.280754 2.746719 -0.276344
H 4.747146 -2.029867 0.381549
H 5.703695 2.192594 -0.030701
H 6.436974 -0.190236 0.293968


