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	hartrees
Energy at 0K	-93.968952
Energy at 298.15K	-93.970313
HF Energy	-93.968952
Nuclear repulsion energy	27.739044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2860	0.04
2	A₁	1750	1675	0.99
3	A₁	1373	1314	16.58
4	B₁	994	951	33.00
5	B₂	3047	2917	10.16
6	B₂	922	883	6.95

Atom	y (Å)	z (Å)
C1	0.000	-0.499
N2	0.000	0.734
H3	0.934	-1.072
H4	-0.934	-1.072

	C1	N2	H3	H4
C1		1.2338	1.0953	1.0953
N2	1.2338		2.0334	2.0334
H3	1.0953	2.0334		1.8673
H4	1.0953	2.0334	1.8673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.522		N2	C1	H4	121.522
H3	C1	H4	116.956

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

using model chemistry: B1B95/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	-0.126
2	N	-0.127
3	H	0.126
4	H	0.126

	x	y	z	Total
	0.000	0.000	-2.427	2.427
CHELPG
AIM
ESP

<r²>	16.885
(<r²>)^1/2	4.109

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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