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	hartrees
Energy at 0K	-16.679608
Energy at 298.15K	-16.680962
HF Energy	-16.679608
Nuclear repulsion energy	14.992955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3004	2901	2.28
2	A₁	1699	1641	0.09
3	A₁	1380	1332	11.92
4	B₁	979	945	52.02
5	B₂	3067	2962	26.71
6	B₂	932	900	5.82

Atom	y (Å)	z (Å)
C1	0.000	-0.515
N2	0.000	0.754
H3	0.946	-1.093
H4	-0.946	-1.093

	C1	N2	H3	H4
C1		1.2682	1.1089	1.1089
N2	1.2682		2.0750	2.0750
H3	1.1089	2.0750		1.8919
H4	1.1089	2.0750	1.8919

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.454		N2	C1	H4	121.454
H3	C1	H4	117.093

All results from a given calculation for H₂CN (Dihydrogen cyanide radical)

using model chemistry: B3LYP/CEP-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.555
2	N	0.112
3	H	0.222
4	H	0.222

	x	y	z	Total
	0.000	0.000	-2.553	2.553
CHELPG
AIM
ESP

<r²>	15.591
(<r²>)^1/2	3.948

All results from a given calculation for H2CN (Dihydrogen cyanide radical)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for H₂CN (Dihydrogen cyanide radical)