Cartesian Coordinates 0 1 O 0.00001499 0.00000000 1.25785920 C 0.00001247 -0.00000385 0.00002884 O -0.00001499 0.00000000 -1.25785920 1 2 2.0 2 3 2.0 3 ------- Internal Coordinates 0 1 O C 1 B1 O 2 B2 1 A1 B1 1.25729168 B2 1.25732938 A1 179.99879770 1 2 2.0 2 3 2.0 3