VSEPR Geometry Predictor implementation

Binding contract

This record describes what an executable surface must bind and validate. It does not claim that a public calculator, package, or production route is deployed.

Record owner

Guth Instruments

Lifecycle

verified-clean

Evidence ID

t6-135

Effect

Computation or source lookup only

Input and validation requirements

The specification exposes invalid-input hazards at zero and at overflowing magnitudes, where a robust implementation must reject the input rather than perform an unchecked lookup. It also has a material convention hazard because VSEPR counts bonding domains, whereas the label 'bonding pairs' can be interpreted as individual shared electron pairs.

Required corrections

No binding erratum is attached to this unique-name record. Implementers must still preserve the declared units, domain, and failure behavior.

Inspectable interface fixture

The sample below is evidence for interface and validation tests, not a production implementation.

{
  "inputs": {
    "central_atom": "C",
    "ligands": "O=C=O",
    "bonding_domains": 2,
    "lone_pairs": 0
  },
  "expected_outputs": {
    "steric_number": 2,
    "electron_geometry": "linear",
    "molecular_geometry": "linear",
    "idealized_bond_angles_deg": [
      180
    ]
  },
  "working": "Step 1: Count bonding domains: the two C–O directions give 2 domains; each C=O double bond still counts as one domain. Step 2: Add lone pairs: steric number = 2 + 0 = 2. Step 3: Steric number 2 maps to linear electron geometry. With no lone pairs, molecular geometry is also linear. Step 4: The ideal linear angle is 180°."
}

Other records

Sources and evidence

These pointers bind the page to evidence. They do not grant authority or collapse verification into deployment.

• VERIFIED_LEDGER.json
• evidence-tranche6/tranche6-results.json