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	hartrees
Energy at 0K	-93.989873
Energy at 298.15K	-93.991216
HF Energy	-93.989873
Nuclear repulsion energy	27.461775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2862	2854	0.59
2	A₁	1662	1657	1.31
3	A₁	1338	1334	14.90
4	B₁	949	947	31.21
5	B₂	2896	2888	17.80
6	B₂	898	895	5.70

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.743
H3	0.938	-1.090
H4	-0.938	-1.090

	C1	N2	H3	H4
C1		1.2458	1.1063	1.1063
N2	1.2458		2.0585	2.0585
H3	1.1063	2.0585		1.8760
H4	1.1063	2.0585	1.8760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.020		N2	C1	H4	122.020
H3	C1	H4	115.959

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

using model chemistry: BLYP/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	-0.084
2	N	-0.117
3	H	0.101
4	H	0.101

	x	y	z	Total
	0.000	0.000	-2.399	2.399
CHELPG
AIM
ESP

<r²>	17.220
(<r²>)^1/2	4.150

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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