3 atoms


Coords

1 113.068836 2.708776 1121.954911
2 114.272301 2.720500 1121.954911
3 111.978263 2.698152 1121.954911

Types

1 1
2 1
3 2

Charges

1 0.00000000
2 0.00000000
3 0.00000000