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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for N2O (Nitrous oxide)

Other names
Dinitrogen monoxide; Dinitrogen oxide; Factitious air; Hyponitrous acid anhydride; Laughing gas; Nitrogen Monoxide; Nitrogen oxide; Nitrogen oxide (N2O); Nitrous Oxide; UN 1070; UN 2201;
INChI
InChI=1/N2O/c1-2-3

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   310  
Energy 298.15K   279  
Atomization Enthalpy 298.15K x276x
Atomization Enthalpy 0K x277x
Entropy (298.15K) entropy x236x
Entropy at any temperature   236  
Integrated Heat Capacity integrated heat capacity x236x
Heat Capacity (Cp) Heat capacity x236x
Nuclear Repulsion Energy   273  
HOMO-LUMO Energies HOMO energies   239  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x223  
Internal Coordinates bond lengths bond angles x223x
Products of moments of inertia moments of inertia x246x
Rotational Constants rotational constants x250x
Point Group  252 
Vibrations Vibrational Frequencies vibrations x242x
Vibrational Intensities x216x
Zero-point energies x242x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   191  
Dipole dipole x174x
Quadrupole quadrupole x176x
Polarizability polarizability x151x
Other results Spin   10  
Number of basis functions   6  
Diagnostics   5  
Conformations   1