old_contents: # Data sources
  database(
  	thermoLibraries = ['primaryThermoLibrary', 'GRI-Mech3.0-N'],
  	reactionLibraries = [],
  	seedMechanisms = ['GRI-Mech3.0-N'],
  	kineticsDepositories = ['training'], #  'all', 'default'==['training'], [], 
  	kineticsFamilies = ['!Intra_Disproportionation','!Substitution_O'],
  	kineticsEstimator = 'rate rules',
  )
  
  # List of species
  species(
  	label='CH2',
  	reactive=True,
  	structure=SMILES("[CH2]"),
  )
  species(
  	label='C2H2',
  	reactive=True,
  	structure=SMILES("C#C"),
  )
  species(
  	label='N2',
  	reactive=False,
  	structure=InChI("InChI=1/N2/c1-2"),
  )
  
  # Reaction systems
  simpleReactor(
  	temperature=(1350,'K'),
  	pressure=(1.0,'bar'),
  	initialMoleFractions={
  		"CH2": 0.001,
  		"C2H2": 0.099,
  		"N2": 0.9,
  	},
  	terminationConversion={
  		'C2H2': 0.9,
  	},
  	terminationTime=(1e12,'s'),
  )
  
  simulator(
  	atol=1e-16,
  	rtol=1e-8,
  )
  
  model(
  	toleranceKeepInEdge=1e-5,
  	toleranceMoveToCore=0.01,
  	toleranceInterruptSimulation=0.1,
  	maximumEdgeSpecies=9999999
  )
  
  options(
  	units='si',
  	saveRestartPeriod=None,
  	drawMolecules=False,
  	generatePlots=False,
  )
  
new_contents: # Data sources
  database(
  	thermoLibraries = ['primaryThermoLibrary', 'GRI-Mech3.0-N'],
  	reactionLibraries = [],
  	seedMechanisms = ['GRI-Mech3.0-N'],
  	kineticsDepositories = ['training'], #  'all', 'default'==['training'], [], 
  	kineticsFamilies = ['!Intra_Disproportionation','!Substitution_O'],
  	kineticsEstimator = 'rate rules',
  )
  
  generatedSpeciesConstraints(
      maximumRadicalElectrons = 4,
  )
  
  # List of species
  species(
  	label='CH2',
  	reactive=True,
  	multiplicity = 3,
  	structure=SMILES("[CH2]"),
  )
  species(
  	label='C2H2',
  	multiplicity = 1,
  	reactive=True,
  	structure=SMILES("C#C"),
  )
  species(
  	label='N2',
  	multiplicity = 1,
  	reactive=False,
  	structure=InChI("InChI=1/N2/c1-2"),
  )
  
  # Reaction systems
  simpleReactor(
  	temperature=(1350,'K'),
  	pressure=(1.0,'bar'),
  	initialMoleFractions={
  		"CH2": 0.001,
  		"C2H2": 0.099,
  		"N2": 0.9,
  	},
  	terminationConversion={
  		'C2H2': 0.9,
  	},
  	terminationTime=(1e12,'s'),
  )
  
  simulator(
  	atol=1e-16,
  	rtol=1e-8,
  )
  
  model(
  	toleranceKeepInEdge=1e-5,
  	toleranceMoveToCore=0.01,
  	toleranceInterruptSimulation=0.1,
  	maximumEdgeSpecies=9999999
  )
  
  options(
  	units='si',
  	saveRestartPeriod=None,
  	drawMolecules=False,
  	generatePlots=False,
  )
  
subject: Update RMG example c3h4 with multiplicity label