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	hartrees
Energy at 0K	-93.866496
Energy at 298.15K	-93.867820
HF Energy	-93.866496
Nuclear repulsion energy	27.236082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2876	2860	0.01
2	A₁	1685	1675	1.16
3	A₁	1294	1287	15.18
4	B₁	926	920	30.30
5	B₂	2924	2907	15.11
6	B₂	858	853	4.12

Atom	y (Å)	z (Å)
C1	0.000	-0.506
N2	0.000	0.748
H3	0.948	-1.101
H4	-0.948	-1.101

	C1	N2	H3	H4
C1		1.2545	1.1190	1.1190
N2	1.2545		2.0781	2.0781
H3	1.1190	2.0781		1.8954
H4	1.1190	2.0781	1.8954

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.122		N2	C1	H4	122.122
H3	C1	H4	115.756

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.005
2	N	-0.129
3	H	0.067
4	H	0.067

	x	y	z	Total
	0.000	0.000	-2.213	2.213
CHELPG
AIM
ESP

<r²>	17.181
(<r²>)^1/2	4.145

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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