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	hartrees
Energy at 0K	-93.404043
Energy at 298.15K	-93.405427
HF Energy	-93.404043
Nuclear repulsion energy	27.349565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3050	2889	2.20
2	A₁	1670	1581	4.90
3	A₁	1447	1371	10.76
4	B₁	1059	1003	57.04
5	B₂	3107	2943	8.68
6	B₂	988	936	2.98

Atom	y (Å)	z (Å)
C1	0.000	-0.509
N2	0.000	0.749
H3	0.927	-1.092
H4	-0.927	-1.092

	C1	N2	H3	H4
C1		1.2579	1.0948	1.0948
N2	1.2579		2.0607	2.0607
H3	1.0948	2.0607		1.8537
H4	1.0948	2.0607	1.8537

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.155		N2	C1	H4	122.155
H3	C1	H4	115.689

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

using model chemistry: M06-2X/3-21G*

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	-0.213
2	N	-0.253
3	H	0.233
4	H	0.233

	x	y	z	Total
	0.000	0.000	-2.351	2.351
CHELPG
AIM
ESP

<r²>	17.145
(<r²>)^1/2	4.141

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

using model chemistry: M06-2X/3-21G*

States and conformations

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