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	hartrees
Energy at 0K	-93.872977
Energy at 298.15K	-93.874331
HF Energy	-93.872977
Nuclear repulsion energy	27.456020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2999	2884	0.06
2	A₁	1753	1685	0.60
3	A₁	1350	1298	15.87
4	B₁	980	943	32.07
5	B₂	3069	2951	9.08
6	B₂	910	875	6.18

Atom	y (Å)	z (Å)
C1	0.000	-0.504
N2	0.000	0.742
H3	0.944	-1.084
H4	-0.944	-1.084

	C1	N2	H3	H4
C1		1.2460	1.1076	1.1076
N2	1.2460		2.0551	2.0551
H3	1.1076	2.0551		1.8877
H4	1.1076	2.0551	1.8877

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.551		N2	C1	H4	121.551
H3	C1	H4	116.898

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

using model chemistry: PBE1PBE/cc-pVDZ

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	-0.012
2	N	-0.145
3	H	0.078
4	H	0.078

	x	y	z	Total
	0.000	0.000	-2.293	2.293
CHELPG
AIM
ESP

<r²>	16.989
(<r²>)^1/2	4.122

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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