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	hartrees
Energy at 0K	-93.467937
Energy at 298.15K	-93.469332
HF Energy	-93.467937
Nuclear repulsion energy	27.581650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	2871	0.36
2	A₁	1626	1471	18.58
3	A₁	1429	1293	0.50
4	B₁	1054	953	34.99
5	B₂	3258	2947	9.58
6	B₂	1062	960	17.04

Atom	y (Å)	z (Å)
C1	0.000	-0.510
N2	0.000	0.740
H3	0.931	-1.061
H4	-0.931	-1.061

	C1	N2	H3	H4
C1		1.2505	1.0817	1.0817
N2	1.2505		2.0279	2.0279
H3	1.0817	2.0279		1.8614
H4	1.0817	2.0279	1.8614

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.639		N2	C1	H4	120.639
H3	C1	H4	118.722

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

using model chemistry: HF/daug-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	-0.921
2	N	-0.826
3	H	0.873
4	H	0.873

	x	y	z	Total
	0.000	0.000	-2.454	2.454
CHELPG
AIM
ESP

<r²>	17.098
(<r²>)^1/2	4.135

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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