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	hartrees
Energy at 0K	-93.896205
Energy at 298.15K	-93.897546
HF Energy	-93.896205
Nuclear repulsion energy	27.443889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2878	2846	0.11
2	A₁	1683	1665	1.51
3	A₁	1330	1315	16.61
4	B₁	950	940	40.91
5	B₂	2922	2889	14.03
6	B₂	890	880	3.22

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.743
H3	0.941	-1.090
H4	-0.941	-1.090

	C1	N2	H3	H4
C1		1.2456	1.1093	1.1093
N2	1.2456		2.0602	2.0602
H3	1.1093	2.0602		1.8828
H4	1.1093	2.0602	1.8828

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.941		N2	C1	H4	121.941
H3	C1	H4	116.118

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

using model chemistry: PBEPBE/TZVP

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	-0.180
2	N	-0.103
3	H	0.142
4	H	0.142

	x	y	z	Total
	0.000	0.000	-2.465	2.465
CHELPG
AIM
ESP

<r²>	17.248
(<r²>)^1/2	4.153

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

using model chemistry: PBEPBE/TZVP

States and conformations

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