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	hartrees
Energy at 0K	-93.940473
Energy at 298.15K	-93.941832
HF Energy	-93.940473
Nuclear repulsion energy	27.635848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3007	2880	0.02
2	A₁	1759	1685	0.72
3	A₁	1376	1318	14.96
4	B₁	992	950	28.19
5	B₂	3070	2940	9.70
6	B₂	921	882	5.93

Atom	y (Å)	z (Å)
C1	0.000	-0.501
N2	0.000	0.738
H3	0.934	-1.078
H4	-0.934	-1.078

	C1	N2	H3	H4
C1		1.2391	1.0973	1.0973
N2	1.2391		2.0414	2.0414
H3	1.0973	2.0414		1.8678
H4	1.0973	2.0414	1.8678

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.672		N2	C1	H4	121.672
H3	C1	H4	116.656

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

using model chemistry: B1B95/6-31G(2df,p)

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	-0.174
2	N	-0.149
3	H	0.162
4	H	0.162

	x	y	z	Total
	0.000	0.000	-2.345	2.345
CHELPG
AIM
ESP

<r²>	16.803
(<r²>)^1/2	4.099

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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