Molecule H2O
3 atoms
2 bonds
1 angles

Coords

1 0 0 0
2  0.8164904 0.00000  0.5773590
3 -0.8164904 0.00000  0.5773590

Types

1 1
2 2
3 2

Charges

1 -0.82
2 0.41
3 0.41

Bonds

1 1 1 2
2 1 1 3

Angles

1 1 2 1 3