atoms
electrons
STO-3G qubit estimate
Select two atomsAtom labels use one-based global atom indices.
What am I looking at?
Spheres mark atomic positions; sticks show supplied or inferred chemical connectivity. Atom sizes are illustrative. Rotation changes the camera, not the molecule's coordinates. These spheres are not electron-density surfaces.
The qubit estimate uses all STO-3G spin orbitals, with no active-space or symmetry reduction. It is a basis-size estimate, not a completed quantum calculation.
Geometry and calculation
Atoms · coordinates / Å
| Atom | x | y | z |
|---|
Bonds · distances / Å
| Bond | Order | Length |
|---|