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	hartrees
Energy at 0K	-92.672060
Energy at 298.15K	-92.673386
HF Energy	-92.672060
Nuclear repulsion energy	26.671447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	2929	25.56
2	A₁	1729	1525	16.48
3	A₁	1487	1312	3.62
4	B₁	1005	887	30.40
5	B₂	3459	3051	0.92
6	B₂	984	868	3.69

Atom	y (Å)	z (Å)
C1	0.000	-0.528
N2	0.000	0.770
H3	0.938	-1.113
H4	-0.938	-1.113

	C1	N2	H3	H4
C1		1.2979	1.1056	1.1056
N2	1.2979		2.1038	2.1038
H3	1.1056	2.1038		1.8759
H4	1.1056	2.1038	1.8759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.965		N2	C1	H4	121.965
H3	C1	H4	116.071

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

using model chemistry: PBE1PBE/STO-3G

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	-0.109
2	N	-0.106
3	H	0.108
4	H	0.108

	x	y	z	Total
	0.000	0.000	-1.793	1.793
CHELPG
AIM
ESP

<r²>	16.998
(<r²>)^1/2	4.123

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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