PM3 Saddle malonaldehyde transition state of H migration C 0.000000 0 0.00000 0 0.000000 0 0 0 0 O 1.22499 1 0.00000 0 0.000000 0 1 0 0 C 1.45804 1 121.55950 1 0.000000 0 1 2 0 C 1.35612 1 121.70273 1 .00126 1 3 1 2 O 1.33556 1 124.87515 1 -.00526 1 4 3 1 H .96828 1 109.25976 1 .00713 1 5 4 3 H 1.09295 1 118.09423 1 -179.99822 1 3 1 2 H 1.09476 1 125.14798 1 -179.99742 1 4 3 1 H 1.09950 1 118.51882 1 -179.99540 1 1 3 4 0 0.000000 0 0.00000 0 0.000000 0 0 0 0 C 0.000000 0 0.00000 0 0.000000 0 0 0 0 O 1.21119 1 0.00000 0 0.000000 0 1 0 0 C 1.46906 1 125.72576 1 0.000000 0 1 2 0 C 1.34581 1 127.69689 1 .01309 1 3 1 2 O 1.35188 1 121.21416 1 .00897 1 4 3 1 H .94823 1 107.22864 1 179.97162 1 5 4 3 H 1.09643 1 114.98921 1 -179.97882 1 3 1 2 H 1.09800 1 121.82449 1 -179.99077 1 4 3 1 H 1.10347 1 114.99272 1 -179.99419 1 1 3 4 0 0.000000 0 0.00000 0 0.000000 0 0 0 0