created by fftool

3 atoms
2 bonds
1 angles

Types

1 1
2 2
3 3

Coords

1  0.000   0.000   1.128  # N1 N2O
2  0.000   0.000   0.000  # N2 N2O
3  0.000   0.000  -1.184  # O N2O

Charges

1  -0.34
2   0.68
3  -0.34

Bonds

1 1 1 2
2 2 2 3

Angles

1 1 1 2 3

Shake Flags

1 3
2 3
3 3

Shake Atoms

1 1 2 3
2 1 2 3
3 1 2 3

Shake Bond Types

1 1 2
2 1 2
3 1 2

Special Bond Counts

1 1 1 0
2 2 0 0
3 1 1 0

Special Bonds

1 2 3
2 1 3
3 2 1