%chk=000016680.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016680

0 1
 O    1.718000     -0.2033000      0.2163000    
 O   -1.720900     -0.2062000     -0.2196000    
 O    2.996900      0.6983000      -1.484000    
 O   -2.971800      0.7263000       1.485100    
 C  -1.1000000E-03  -1.931400     -3.0000001E-04
 C    1.049200      -1.049600     -0.7112000    
 C   -1.038300      -1.036900      0.7112000    
 C  -0.7042000      -2.833800      -1.032200    
 C   0.6829000      -2.824800       1.050300    
 C    2.669500      0.6199000     -0.3106000    
 C   -2.663300      0.6273000      0.3080000    
 C    3.249000       1.412300      0.7938000    
 C   -3.259900       1.401200     -0.8003000    
 C    4.212700       2.303300      0.5440000    
 C   -4.218700       2.297500     -0.5504000    
 H    1.791500      -1.689300      -1.206200    
 H   0.5695000     -0.4319000      -1.481000    
 H   -1.775200      -1.666900       1.226600    
 H  -0.5495000     -0.4073000       1.465500    
 H   1.1300000E-02  -3.508300      -1.515900    
 H   -1.476100      -3.450300     -0.5580000    
 H   -1.184600      -2.243500      -1.820200    
 H  -4.2800002E-02  -3.483000       1.541600    
 H    1.448700      -3.459100      0.5899000    
 H    1.168400      -2.229100       1.831100    
 H    2.881600       1.260000       1.802500    
 H   -2.908900       1.231100      -1.811900    
 H    4.637600       2.884900       1.355400    
 H    4.600700       2.478300     -0.4534000    
 H   -4.656100       2.865500      -1.364800    
 H   -4.590400       2.490100      0.4500000    


%chk=000016680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016680

0 1
O 1.705124 -0.225322 0.240910
O -1.711976 -0.227289 -0.239371
O 2.979661 0.685057 -1.493772
O -2.983824 0.698696 1.488992
C -0.003238 -1.975836 0.007882
C 1.013906 -1.098301 -0.750064
C -1.020217 -1.091840 0.758614
C -0.724478 -2.867655 -1.036229
C 0.717550 -2.859128 1.059493
C 2.676335 0.642073 -0.276490
C -2.683774 0.643394 0.271390
C 3.263210 1.456127 0.819985
C -3.267039 1.452969 -0.830303
C 4.237752 2.369160 0.573219
C -4.237879 2.371500 -0.589401
H 1.772715 -1.717300 -1.263389
H 0.515158 -0.453312 -1.494171
H -1.778855 -1.706466 1.277418
H -0.521339 -0.440596 1.497197
H 0.002741 -3.486906 -1.593485
H -1.432199 -3.550904 -0.532030
H -1.293500 -2.257763 -1.758997
H -0.010004 -3.473282 1.621912
H 1.424999 -3.546946 0.561200
H 1.286715 -2.243357 1.777151
H 2.866717 1.279883 1.825235
H -2.871213 1.268721 -1.834377
H 4.673143 2.973520 1.375566
H 4.609562 2.519878 -0.447046
H -4.670950 2.972370 -1.395614
H -4.609103 2.530157 0.429875


