%chk=000031458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031458

0 1
 O   -2.179500       1.218400      -1.161700    
 O   -2.238700      0.8482000       1.184500    
 O    1.711700      0.4330000      8.4500000E-02
 C  -0.5588000     -0.3118000     -0.1593000    
 C   0.9202000     -0.7151000     -0.1854000    
 C  -0.8465000      0.7164000      -1.269400    
 C  -0.9089000      0.3269000       1.197900    
 C   -1.429500      -1.564100     -0.3791000    
 C   -2.404900       1.795200      0.1265000    
 C    1.312000      -1.300700      -1.528400    
 C   -1.171500      -2.579200      0.6834000    
 C    3.099400      0.1252000      7.4600004E-02
 C   -3.840500       2.290200      0.1685000    
 C    3.886400       1.393000      0.3692000    
 C  -0.7347000      -3.818800      0.4339000    
 C    5.383800       1.143200      0.3602000    
 H    1.129700      -1.445600      0.6053000    
 H  -0.1564000       1.568100      -1.233200    
 H  -0.7597000      0.2712000      -2.265800    
 H  -0.8157000     -0.3553000       2.046200    
 H  -0.2364000       1.164100       1.425600    
 H   -1.319300      -1.987300      -1.382400    
 H   -2.493000      -1.296500     -0.3158000    
 H   -1.728800       2.646900      0.2775000    
 H    1.454900     -0.5262000      -2.290400    
 H    2.262700      -1.841700      -1.452800    
 H   0.6174000      -2.044200      -1.920800    
 H   -1.425800      -2.343200       1.712300    
 H    3.426600     -0.2273000     -0.9075000    
 H    3.318100     -0.6406000      0.8279000    
 H   -4.539000       1.458700      2.0000000E-02
 H   -4.071200       2.742400       1.138100    
 H   -4.026900       3.020300     -0.6253000    
 H    3.633200       2.164200     -0.3684000    
 H    3.582000       1.795900       1.342600    
 H  -0.6039000      -4.528600       1.243300    
 H  -0.4990000      -4.146100     -0.5725000    
 H    5.716000      0.7804000     -0.6177000    
 H    5.923900       2.069600      0.5794000    
 H    5.662300      0.4011000       1.115300    


%chk=000031458-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031458

0 1
O -2.251349 1.204158 -1.132862
O -2.050834 0.915995 1.253099
O 1.785803 0.415154 -0.307443
C -0.518117 -0.373042 -0.251163
C 0.968420 -0.819882 -0.396371
C -0.897295 0.652422 -1.359586
C -0.685526 0.371080 1.107906
C -1.492513 -1.595450 -0.331260
C -2.328515 1.864953 0.171329
C 1.289755 -1.600060 -1.686214
C -1.227027 -2.705709 0.662301
C 3.196991 0.190129 0.030537
C -3.737962 2.396255 0.352435
C 3.827618 1.553927 0.336593
C -1.048731 -4.013945 0.346038
C 5.329197 1.433061 0.677322
H 1.215281 -1.465713 0.478971
H -0.151562 1.473414 -1.377862
H -0.951642 0.182397 -2.355047
H -0.547430 -0.302818 1.969441
H 0.057712 1.191276 1.167614
H -1.484324 -2.005985 -1.358904
H -2.509204 -1.190835 -0.159912
H -1.548426 2.665784 0.203937
H 1.069026 -0.999066 -2.585420
H 2.359627 -1.873302 -1.715225
H 0.711059 -2.538322 -1.730536
H -1.220816 -2.420424 1.725834
H 3.730796 -0.296420 -0.815089
H 3.269337 -0.483974 0.914960
H -4.456350 1.560815 0.312579
H -3.828875 2.900138 1.328932
H -3.977497 3.112362 -0.450970
H 3.686303 2.212226 -0.541397
H 3.279204 2.019614 1.177234
H -0.896149 -4.777723 1.117153
H -1.067076 -4.362640 -0.694947
H 5.898611 0.995853 -0.164544
H 5.763997 2.424148 0.897830
H 5.490184 0.790450 1.563508


