# @molecule

The molecule section specifies the molecular geometry and molecular parameters.  
Below is a detailed explanation of the settings available in this section:   

| `charge` <a id="charge"></a> | |
|----------------|-------------------------|
| **Description** | Specifies the charge of the molecule. |
| **Type**        | int |
| **Default**     | None |

<br>

| `multiplicity` <a id="multiplicity"></a> | |
|----------------|-------------------------|
| **Description** | Specifies the spin of the molecule. |
| **Type**        | int |
| **Default**     | None |

<br>

| `units` <a id="units"></a> | |
|----------------|-----------------------------|
| **Description** | Units for the molecular coordinates. |
| **Type**        | str |
| **Default**     | None |
| **Options**     | Angstrom<br>Bohr</li></ul> |

<br>

| `xyz` <a id="xyz"></a> | |
|----------------|---------------------------------------------|
| **Description** | XYZ coordinates for the atoms of the molecule. |
| **Default**     | None |
| **Example**     | [An example is given here](./input.md#molecule_example) |