%chk=000029022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029022

0 1
 O    4.322300      0.8938000      0.1333000    
 O    3.527500      -1.235800      0.1105000    
 C   -2.848200      0.5628000      0.1668000    
 C   -3.935000     -0.5097000      8.9000002E-02
 C   0.8965000     -0.4745000     -0.2619000    
 C   -1.492700     -4.9699999E-02  0.3683000    
 C  -0.4581000      0.1379000     -0.4641000    
 C    1.969400      0.5968000     -0.1041000    
 C   -5.313400      0.1074000     -8.8200003E-02
 C    3.331700     -2.8999999E-02  5.0400000E-02
 H   -2.868800       1.176100     -0.7422000    
 H   -3.052100       1.234500       1.009400    
 H   -3.734300      -1.186900     -0.7501000    
 H   -3.930900      -1.118400       1.001500    
 H    1.121700      -1.107000      -1.129700    
 H   0.8977000      -1.136900      0.6130000    
 H   -1.359200     -0.6641000       1.255400    
 H  -0.5900000      0.7544000      -1.349900    
 H    1.769900       1.208000      0.7832000    
 H    1.990500       1.245500     -0.9874000    
 H   -5.364800      0.6945000      -1.010800    
 H   -5.560000      0.7645000      0.7519000    
 H   -6.075500     -0.6762000     -0.1415000    
 H    5.203400      0.4763000      0.2414000    


%chk=000029022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029022

0 1
O 4.389888 0.965737 0.150381
O 3.723530 -1.251921 -0.015021
C -2.884211 0.561844 0.180177
C -4.004156 -0.508469 0.061981
C 0.918725 -0.508841 -0.216089
C -1.512745 -0.041662 0.397071
C -0.444649 0.115931 -0.428138
C 2.031020 0.560922 -0.114252
C -5.405466 0.118499 -0.100154
C 3.417679 -0.039808 0.005795
H -2.878904 1.192665 -0.730894
H -3.137076 1.231647 1.029932
H -3.781747 -1.168634 -0.798835
H -3.986386 -1.153627 0.963675
H 1.165373 -1.190244 -1.054474
H 0.917099 -1.130885 0.697584
H -1.397151 -0.669781 1.296070
H -0.560023 0.739712 -1.330215
H 1.862906 1.226039 0.753718
H 2.025652 1.223995 -1.001958
H -5.458266 0.742959 -1.011920
H -5.653165 0.764759 0.763355
H -6.188366 -0.658031 -0.177108
H 5.288037 0.541493 0.223517


