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	hartrees
Energy at 0K	-93.898648
Energy at 298.15K	-93.899984
HF Energy	-93.898648
Nuclear repulsion energy	27.464831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2876	2844	0.35
2	A₁	1678	1659	1.40
3	A₁	1317	1302	17.25
4	B₁	940	929	35.20
5	B₂	2918	2885	10.55
6	B₂	878	868	5.67

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.742
H3	0.941	-1.087
H4	-0.941	-1.087

	C1	N2	H3	H4
C1		1.2450	1.1080	1.1080
N2	1.2450		2.0574	2.0574
H3	1.1080	2.0574		1.8828
H4	1.1080	2.0574	1.8828

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.830		N2	C1	H4	121.830
H3	C1	H4	116.340

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

using model chemistry: PBEPBEultrafine/aug-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	-0.283
2	N	-0.346
3	H	0.315
4	H	0.315

	x	y	z	Total
	0.000	0.000	-2.479	2.479
CHELPG
AIM
ESP

<r²>	17.277
(<r²>)^1/2	4.157

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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