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	hartrees
Energy at 0K	-93.979008
Energy at 298.15K	-93.980378
HF Energy	-93.979008
Nuclear repulsion energy	27.695870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3000	2868	0.06
2	A₁	1750	1673	0.75
3	A₁	1384	1323	17.08
4	B₁	1006	962	34.17
5	B₂	3067	2932	8.38
6	B₂	946	905	7.47

Atom	y (Å)	z (Å)
C1	0.000	-0.504
N2	0.000	0.736
H3	0.939	-1.065
H4	-0.939	-1.065

	C1	N2	H3	H4
C1		1.2401	1.0936	1.0936
N2	1.2401		2.0310	2.0310
H3	1.0936	2.0310		1.8778
H4	1.0936	2.0310	1.8778

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.848		N2	C1	H4	120.848
H3	C1	H4	118.305

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

using model chemistry: wB97X-D/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	-0.079
2	N	-0.127
3	H	0.103
4	H	0.103

	x	y	z	Total
	0.000	0.000	-2.470	2.470
CHELPG
AIM
ESP

<r²>	16.904
(<r²>)^1/2	4.111

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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