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	hartrees
Energy at 0K	-93.350774
Energy at 298.15K	-93.352149
HF Energy	-93.350774
Nuclear repulsion energy	27.360828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3020	2909	0.60
2	A₁	1667	1606	3.31
3	A₁	1434	1381	13.00
4	B₁	1028	990	59.02
5	B₂	3073	2960	14.11
6	B₂	965	930	2.55

Atom	y (Å)	z (Å)
C1	0.000	-0.508
N2	0.000	0.748
H3	0.927	-1.095
H4	-0.927	-1.095

	C1	N2	H3	H4
C1		1.2561	1.0968	1.0968
N2	1.2561		2.0628	2.0628
H3	1.0968	2.0628		1.8531
H4	1.0968	2.0628	1.8531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.355		N2	C1	H4	122.355
H3	C1	H4	115.291

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

using model chemistry: HSEh1PBE/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	-0.233
2	N	-0.258
3	H	0.245
4	H	0.245

	x	y	z	Total
	0.000	0.000	-2.340	2.340
CHELPG
AIM
ESP

<r²>	17.099
(<r²>)^1/2	4.135

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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