C O2
1.0
        8.0         0.0000000000         0.0000000000
        0.0000000000         8.0        0.0000000000
        0.0000000000         0.0000000000         8.0
    C    O
    1    2
Cartesian
    0.000000000         0.000000000         0.000000000
    0.66644402         0.66644402         0.66644402 
   -0.66644402         -0.66644402         -0.66644402 
