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	hartrees
Energy at 0K	-93.954049
Energy at 298.15K	-93.955425
HF Energy	-93.954049
Nuclear repulsion energy	27.252051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3026	2911	0.07
2	A₁	1681	1617	1.66
3	A₁	1432	1377	13.48
4	B₁	1021	982	51.51
5	B₂	3090	2972	16.91
6	B₂	979	942	4.33

Atom	y (Å)	z (Å)
C1	0.000	-0.512
N2	0.000	0.751
H3	0.931	-1.093
H4	-0.931	-1.093

	C1	N2	H3	H4
C1		1.2633	1.0971	1.0971
N2	1.2633		2.0657	2.0657
H3	1.0971	2.0657		1.8615
H4	1.0971	2.0657	1.8615

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.968		N2	C1	H4	121.968
H3	C1	H4	116.065

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

using model chemistry: B3LYP/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	-0.167
2	N	-0.187
3	H	0.177
4	H	0.177

	x	y	z	Total
	0.000	0.000	-2.471	2.471
CHELPG
AIM
ESP

<r²>	17.243
(<r²>)^1/2	4.152

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

using model chemistry: B3LYP/6-31G

States and conformations

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