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	hartrees
Energy at 0K	-93.480939
Energy at 298.15K	-93.482261
HF Energy	-93.480939
Nuclear repulsion energy	27.682485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2848	2821	0.16
2	A₁	1741	1724	1.27
3	A₁	1279	1267	24.87
4	B₁	922	913	37.87
5	B₂	2887	2860	4.20
6	B₂	850	842	3.68

Atom	y (Å)	z (Å)
C1	0.000	-0.495
N2	0.000	0.734
H3	0.943	-1.085
H4	-0.943	-1.085

	C1	N2	H3	H4
C1		1.2295	1.1121	1.1121
N2	1.2295		2.0490	2.0490
H3	1.1121	2.0490		1.8860
H4	1.1121	2.0490	1.8860

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.011		N2	C1	H4	122.011
H3	C1	H4	115.978

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

using model chemistry: LSDA/aug-cc-pVTZ

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	-0.274
2	N	-0.369
3	H	0.322
4	H	0.322

	x	y	z	Total
	0.000	0.000	-2.598	2.598
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/aug-cc-pVTZ

States and conformations

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