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	hartrees
Energy at 0K	-93.446869
Energy at 298.15K	-93.448261
HF Energy	-93.446869
Nuclear repulsion energy	27.365629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	2900	0.24
2	A₁	1611	1467	20.15
3	A₁	1418	1291	0.48
4	B₁	1031	938	36.68
5	B₂	3279	2985	9.61
6	B₂	1048	955	17.02

Atom	y (Å)	z (Å)
C1	0.000	-0.515
N2	0.000	0.746
H3	0.938	-1.068
H4	-0.938	-1.068

	C1	N2	H3	H4
C1		1.2609	1.0892	1.0892
N2	1.2609		2.0427	2.0427
H3	1.0892	2.0427		1.8759
H4	1.0892	2.0427	1.8759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.552		N2	C1	H4	120.552
H3	C1	H4	118.896

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

using model chemistry: HF/aug-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	0.625
2	N	-0.447
3	H	-0.089
4	H	-0.089

	x	y	z	Total
	0.000	0.000	-2.454	2.454
CHELPG
AIM
ESP

<r²>	17.287
(<r²>)^1/2	4.158

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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