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	hartrees
Energy at 0K	-93.965200
Energy at 298.15K	-93.966569
HF Energy	-93.965200
Nuclear repulsion energy	27.021376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3022	2905	0.44
2	A₁	1631	1567	4.12
3	A₁	1403	1348	14.52
4	B₁	1025	986	74.86
5	B₂	3104	2984	17.87
6	B₂	953	916	2.09

Atom	y (Å)	z (Å)
C1	0.000	-0.519
N2	0.000	0.759
H3	0.935	-1.098
H4	-0.935	-1.098

	C1	N2	H3	H4
C1		1.2774	1.0996	1.0996
N2	1.2774		2.0786	2.0786
H3	1.0996	2.0786		1.8693
H4	1.0996	2.0786	1.8693

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.786		N2	C1	H4	121.786
H3	C1	H4	116.428

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

using model chemistry: B3LYP/SDD

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	-0.415
2	N	-0.045
3	H	0.230
4	H	0.230

	x	y	z	Total
	0.000	0.000	-2.675	2.675
CHELPG
AIM
ESP

<r²>	17.436
(<r²>)^1/2	4.176

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

using model chemistry: B3LYP/SDD

States and conformations

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