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	hartrees
Energy at 0K	-93.964822
Energy at 298.15K	-93.966190
HF Energy	-93.964822
Nuclear repulsion energy	27.025612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3022	2905	0.40
2	A₁	1630	1567	4.17
3	A₁	1403	1348	14.53
4	B₁	1025	986	75.94
5	B₂	3104	2983	17.74
6	B₂	954	917	2.05

Atom	y (Å)	z (Å)
C1	0.000	-0.519
N2	0.000	0.758
H3	0.934	-1.098
H4	-0.934	-1.098

	C1	N2	H3	H4
C1		1.2771	1.0995	1.0995
N2	1.2771		2.0784	2.0784
H3	1.0995	2.0784		1.8689
H4	1.0995	2.0784	1.8689

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.799		N2	C1	H4	121.799
H3	C1	H4	116.402

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

using model chemistry: B3LYP/LANL2DZ

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	-0.413
2	N	-0.051
3	H	0.232
4	H	0.232

	x	y	z	Total
	0.000	0.000	-2.680	2.680
CHELPG
AIM
ESP

<r²>	17.432
(<r²>)^1/2	4.175

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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