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	hartrees
Energy at 0K	-94.009283
Energy at 298.15K	-94.010645
HF Energy	-94.009283
Nuclear repulsion energy	27.589015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2956	2858	0.15
2	A₁	1722	1665	0.79
3	A₁	1378	1333	16.13
4	B₁	989	956	34.81
5	B₂	3009	2909	14.81
6	B₂	933	902	6.43

Atom	y (Å)	z (Å)
C1	0.000	-0.502
N2	0.000	0.739
H3	0.937	-1.079
H4	-0.937	-1.079

	C1	N2	H3	H4
C1		1.2409	1.1000	1.1000
N2	1.2409		2.0449	2.0449
H3	1.1000	2.0449		1.8731
H4	1.1000	2.0449	1.8731

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.630		N2	C1	H4	121.630
H3	C1	H4	116.739

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

using model chemistry: B3LYP/6-311G**

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	-0.086
2	N	-0.178
3	H	0.132
4	H	0.132

	x	y	z	Total
	0.000	0.000	-2.406	2.406
CHELPG
AIM
ESP

<r²>	17.019
(<r²>)^1/2	4.125

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

using model chemistry: B3LYP/6-311G**

States and conformations

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