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	hartrees
Energy at 0K	-93.959388
Energy at 298.15K	-93.960736
HF Energy	-93.959388
Nuclear repulsion energy	27.503640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2904	2859	1.07
2	A₁	1675	1650	1.20
3	A₁	1344	1324	14.78
4	B₁	956	942	33.35
5	B₂	2951	2906	13.85
6	B₂	907	893	7.12

Atom	y (Å)	z (Å)
C1	0.000	-0.504
N2	0.000	0.741
H3	0.939	-1.083
H4	-0.939	-1.083

	C1	N2	H3	H4
C1		1.2448	1.1032	1.1032
N2	1.2448		2.0517	2.0517
H3	1.1032	2.0517		1.8774
H4	1.1032	2.0517	1.8774

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.689		N2	C1	H4	121.689
H3	C1	H4	116.622

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

using model chemistry: B97D3/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	-0.171
2	N	-0.379
3	H	0.275
4	H	0.275

	x	y	z	Total
	0.000	0.000	-2.457	2.457
CHELPG
AIM
ESP

<r²>	17.190
(<r²>)^1/2	4.146

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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