%chk=000008945.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008945

0 1
 O   4.2500000E-02  0.3125000       1.308500    
 O    1.452900       1.969500      0.5127000    
 O    1.347000       1.458400      -1.712600    
 O    1.337800      -2.280500       1.025100    
 O   -3.247500     -0.5741000      -1.147800    
 O    2.581700      -1.487000     -0.7079000    
 O   -2.806900     -0.4735000       1.083100    
 C  -9.0099998E-02  0.3173000     -0.1112000    
 C   0.1788000      -1.087000     -0.6288000    
 C   -1.474900      0.8204000     -0.4957000    
 C   0.9741000       1.286700     -0.5620000    
 C   0.7607000       1.486900       1.648600    
 C    1.503600      -1.617700     -0.1483000    
 C   -2.559600     -0.1320000     -6.3699998E-02
 H  -0.5877000      -1.801900     -0.3055000    
 H   0.1841000      -1.118400      -1.725200    
 H   -1.698000       1.787700     -2.8700000E-02
 H   -1.534000      0.9791000      -1.579900    
 H    1.474300       1.253400       2.443900    
 H   6.6900000E-02   2.253700       2.008100    
 H    2.185300      -2.638000       1.366100    
 H   -3.961600      -1.198400     -0.8978000    


%chk=000008945-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008945

0 1
O -0.314976 0.513341 1.319159
O 1.316023 2.076227 0.589118
O 1.390570 1.544469 -1.683668
O 1.692159 -2.934359 -0.145568
O -2.809354 -1.138296 -0.242883
O 2.294296 -0.887939 0.763358
O -3.690235 0.938425 0.297052
C -0.174111 0.341468 -0.141067
C 0.182052 -1.111566 -0.508578
C -1.494540 0.823146 -0.817509
C 0.945703 1.340948 -0.546933
C 0.738698 1.431531 1.786094
C 1.480411 -1.580815 0.111623
C -2.761048 0.265582 -0.189102
H -0.638743 -1.781774 -0.203777
H 0.272438 -1.205827 -1.607726
H -1.568225 1.919682 -0.739332
H -1.466715 0.553866 -1.889185
H 1.543525 0.867513 2.284262
H 0.284225 2.211448 2.415946
H 2.561467 -3.217935 0.249184
H -3.654221 -1.452036 0.180532


