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	hartrees
Energy at 0K	-93.861016
Energy at 298.15K	-93.862354
HF Energy	-93.861016
Nuclear repulsion energy	27.282278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2913	2865	0.17
2	A₁	1693	1666	1.26
3	A₁	1355	1333	12.11
4	B₁	940	925	34.64
5	B₂	2954	2906	18.13
6	B₂	901	886	3.24

Atom	y (Å)	z (Å)
C1	0.000	-0.507
N2	0.000	0.748
H3	0.941	-1.098
H4	-0.941	-1.098

	C1	N2	H3	H4
C1		1.2549	1.1113	1.1113
N2	1.2549		2.0719	2.0719
H3	1.1113	2.0719		1.8822
H4	1.1113	2.0719	1.8822

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.128		N2	C1	H4	122.128
H3	C1	H4	115.745

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.156
2	N	-0.217
3	H	0.187
4	H	0.187

	x	y	z	Total
	0.000	0.000	-2.317	2.317
CHELPG
AIM
ESP

<r²>	17.130
(<r²>)^1/2	4.139

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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