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	hartrees
Energy at 0K	-92.921437
Energy at 298.15K	-92.922782
HF Energy	-92.921437
Nuclear repulsion energy	27.329691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2871	2819	1.17
2	A₁	1661	1631	3.48
3	A₁	1362	1337	19.29
4	B₁	972	954	60.93
5	B₂	2898	2846	14.00
6	B₂	897	881	0.35

Atom	y (Å)	z (Å)
C1	0.000	-0.502
N2	0.000	0.748
H3	0.931	-1.111
H4	-0.931	-1.111

	C1	N2	H3	H4
C1		1.2504	1.1126	1.1126
N2	1.2504		2.0793	2.0793
H3	1.1126	2.0793		1.8628
H4	1.1126	2.0793	1.8628

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	123.164		N2	C1	H4	123.164
H3	C1	H4	113.672

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

using model chemistry: LSDA/3-21G*

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	-0.251
2	N	-0.237
3	H	0.244
4	H	0.244

	x	y	z	Total
	0.000	0.000	-2.347	2.347
CHELPG
AIM
ESP

<r²>	17.132
(<r²>)^1/2	4.139

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

using model chemistry: LSDA/3-21G*

States and conformations

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