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	hartrees
Energy at 0K	-93.930065
Energy at 298.15K	-93.931411
HF Energy	-93.930065
Nuclear repulsion energy	27.319868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2929	2878	0.69
2	A₁	1680	1651	0.99
3	A₁	1355	1332	11.46
4	B₁	955	938	42.55
5	B₂	2984	2933	16.06
6	B₂	913	897	4.96

Atom	y (Å)	z (Å)
C1	0.000	-0.508
N2	0.000	0.747
H3	0.941	-1.089
H4	-0.941	-1.089

	C1	N2	H3	H4
C1		1.2553	1.1057	1.1057
N2	1.2553		2.0632	2.0632
H3	1.1057	2.0632		1.8817
H4	1.1057	2.0632	1.8817

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.214		N2	C1	H4	121.214
H3	C1	H4	117.573

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

using model chemistry: B97D3/6-31+G**

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	-0.184
2	N	-0.145
3	H	0.165
4	H	0.165

	x	y	z	Total
	0.000	0.000	-2.531	2.531
CHELPG
AIM
ESP

<r²>	17.348
(<r²>)^1/2	4.165

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

using model chemistry: B97D3/6-31+G**

States and conformations

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