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	hartrees
Energy at 0K	-93.896429
Energy at 298.15K	-93.897766
HF Energy	-93.896429
Nuclear repulsion energy	27.462894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2874	2854	0.28
2	A₁	1681	1670	1.54
3	A₁	1319	1310	16.51
4	B₁	942	936	32.75
5	B₂	2915	2895	14.46
6	B₂	879	873	4.96

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.742
H3	0.941	-1.089
H4	-0.941	-1.089

	C1	N2	H3	H4
C1		1.2448	1.1084	1.1084
N2	1.2448		2.0588	2.0588
H3	1.1084	2.0588		1.8810
H4	1.1084	2.0588	1.8810

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.948		N2	C1	H4	121.948
H3	C1	H4	116.104

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

using model chemistry: PBEPBEultrafine/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	-0.097
2	N	-0.113
3	H	0.105
4	H	0.105

	x	y	z	Total
	0.000	0.000	-2.394	2.394
CHELPG
AIM
ESP

<r²>	17.162
(<r²>)^1/2	4.143

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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