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	hartrees
Energy at 0K	-93.980685
Energy at 298.15K	-93.982054
HF Energy	-93.980685
Nuclear repulsion energy	27.698412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3001	2870	0.13
2	A₁	1747	1672	0.59
3	A₁	1384	1324	17.29
4	B₁	1004	961	35.84
5	B₂	3068	2934	6.61
6	B₂	945	904	8.37

Atom	y (Å)	z (Å)
C1	0.000	-0.504
N2	0.000	0.736
H3	0.939	-1.064
H4	-0.939	-1.064

	C1	N2	H3	H4
C1		1.2401	1.0935	1.0935
N2	1.2401		2.0304	2.0304
H3	1.0935	2.0304		1.8783
H4	1.0935	2.0304	1.8783

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.809		N2	C1	H4	120.809
H3	C1	H4	118.381

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

using model chemistry: wB97X-D/aug-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	-0.306
2	N	-0.417
3	H	0.362
4	H	0.362

	x	y	z	Total
	0.000	0.000	-2.524	2.524
CHELPG
AIM
ESP

<r²>	16.981
(<r²>)^1/2	4.121

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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