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	hartrees
Energy at 0K	-93.466413
Energy at 298.15K	-93.467811
HF Energy	-93.466413
Nuclear repulsion energy	27.574601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	2858	0.29
2	A₁	1626	1465	18.23
3	A₁	1429	1287	0.54
4	B₁	1051	947	33.39
5	B₂	3256	2933	12.06
6	B₂	1062	957	16.24

Atom	y (Å)	z (Å)
C1	0.000	-0.510
N2	0.000	0.741
H3	0.931	-1.062
H4	-0.931	-1.062

	C1	N2	H3	H4
C1		1.2508	1.0819	1.0819
N2	1.2508		2.0287	2.0287
H3	1.0819	2.0287		1.8610
H4	1.0819	2.0287	1.8610

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.671		N2	C1	H4	120.671
H3	C1	H4	118.657

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

using model chemistry: ROHF/cc-pVTZ

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	-0.116
2	N	-0.135
3	H	0.126
4	H	0.126

	x	y	z	Total
	0.000	0.000	-2.418	2.418
CHELPG
AIM
ESP

<r²>	17.049
(<r²>)^1/2	4.129

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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