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	hartrees
Energy at 0K	-93.870720
Energy at 298.15K	-93.872056
HF Energy	-93.870720
Nuclear repulsion energy	27.288918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2904	2871	0.07
2	A₁	1684	1665	1.22
3	A₁	1331	1316	13.85
4	B₁	941	931	45.89
5	B₂	2956	2922	11.96
6	B₂	889	879	3.58

Atom	y (Å)	z (Å)
C1	0.000	-0.508
N2	0.000	0.747
H3	0.944	-1.093
H4	-0.944	-1.093

	C1	N2	H3	H4
C1		1.2550	1.1106	1.1106
N2	1.2550		2.0683	2.0683
H3	1.1106	2.0683		1.8877
H4	1.1106	2.0683	1.8877

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.809		N2	C1	H4	121.809
H3	C1	H4	116.382

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

using model chemistry: PBEPBE/6-31+G**

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	-0.219
2	N	-0.135
3	H	0.177
4	H	0.177

	x	y	z	Total
	0.000	0.000	-2.537	2.537
CHELPG
AIM
ESP

<r²>	17.423
(<r²>)^1/2	4.174

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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