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	hartrees
Energy at 0K	-94.019631
Energy at 298.15K	-94.020996
HF Energy	-94.019631
Nuclear repulsion energy	27.658465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2960	2861	0.18
2	A₁	1724	1667	0.80
3	A₁	1378	1332	15.93
4	B₁	995	962	32.24
5	B₂	3012	2912	12.06
6	B₂	935	904	7.28

Atom	y (Å)	z (Å)
C1	0.000	-0.501
N2	0.000	0.737
H3	0.935	-1.076
H4	-0.935	-1.076

	C1	N2	H3	H4
C1		1.2377	1.0975	1.0975
N2	1.2377		2.0394	2.0394
H3	1.0975	2.0394		1.8698
H4	1.0975	2.0394	1.8698

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.584		N2	C1	H4	121.584
H3	C1	H4	116.831

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

using model chemistry: B3LYPultrafine/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	-0.097
2	N	-0.123
3	H	0.110
4	H	0.110

	x	y	z	Total
	0.000	0.000	-2.440	2.440
CHELPG
AIM
ESP

<r²>	17.018
(<r²>)^1/2	4.125

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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