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	hartrees
Energy at 0K	-93.954504
Energy at 298.15K	-93.955832
HF Energy	-93.954504
Nuclear repulsion energy	27.201456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2851	2856	0.18
2	A₁	1659	1662	1.01
3	A₁	1305	1307	13.75
4	B₁	928	929	27.19
5	B₂	2891	2895	20.57
6	B₂	870	872	5.04

Atom	y (Å)	z (Å)
C1	0.000	-0.507
N2	0.000	0.750
H3	0.947	-1.103
H4	-0.947	-1.103

	C1	N2	H3	H4
C1		1.2565	1.1192	1.1192
N2	1.2565		2.0808	2.0808
H3	1.1192	2.0808		1.8945
H4	1.1192	2.0808	1.8945

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.185		N2	C1	H4	122.185
H3	C1	H4	115.629

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

using model chemistry: BLYP/cc-pVDZ

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	0.029
2	N	-0.118
3	H	0.044
4	H	0.044

	x	y	z	Total
	0.000	0.000	-2.174	2.174
CHELPG
AIM
ESP

<r²>	17.234
(<r²>)^1/2	4.151

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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