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	hartrees
Energy at 0K	-93.440973
Energy at 298.15K	-93.442361
HF Energy	-93.440973
Nuclear repulsion energy	27.360275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	2749	0.00
2	A₁	1613	1388	15.46
3	A₁	1419	1222	1.20
4	B₁	1019	877	31.16
5	B₂	3286	2829	11.16
6	B₂	1043	898	15.20

Atom	y (Å)	z (Å)
C1	0.000	-0.514
N2	0.000	0.746
H3	0.938	-1.071
H4	-0.938	-1.071

	C1	N2	H3	H4
C1		1.2602	1.0910	1.0910
N2	1.2602		2.0455	2.0455
H3	1.0910	2.0455		1.8755
H4	1.0910	2.0455	1.8755

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.737		N2	C1	H4	120.737
H3	C1	H4	118.526

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

using model chemistry: ROHF/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	0.025
2	N	-0.166
3	H	0.070
4	H	0.070

	x	y	z	Total
	0.000	0.000	-2.331	2.331
CHELPG
AIM
ESP

<r²>	17.145
(<r²>)^1/2	4.141

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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