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	hartrees
Energy at 0K	-16.651698
Energy at 298.15K	-16.653064
HF Energy	-16.651698
Nuclear repulsion energy	14.853580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3021	2925	1.81
2	A₁	1606	1555	5.26
3	A₁	1397	1353	12.11
4	B₁	1008	977	75.77
5	B₂	3102	3004	32.51
6	B₂	960	930	4.87

Atom	y (Å)	z (Å)
C1	0.000	-0.524
N2	0.000	0.764
H3	0.943	-1.102
H4	-0.943	-1.102

	C1	N2	H3	H4
C1		1.2885	1.1059	1.1059
N2	1.2885		2.0910	2.0910
H3	1.1059	2.0910		1.8856
H4	1.1059	2.0910	1.8856

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.510		N2	C1	H4	121.510
H3	C1	H4	116.980

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

using model chemistry: B3LYP/CEP-31G

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	-0.524
2	N	0.092
3	H	0.216
4	H	0.216

	x	y	z	Total
	0.000	0.000	-2.764	2.764
CHELPG
AIM
ESP

<r²>	15.870
(<r²>)^1/2	3.984

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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