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	hartrees
Energy at 0K	-93.432312
Energy at 298.15K	-93.433703
HF Energy	-93.432312
Nuclear repulsion energy	27.424724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	2881	0.22
2	A₁	1639	1460	12.22
3	A₁	1438	1280	0.02
4	B₁	1033	919	31.84
5	B₂	3320	2956	16.39
6	B₂	1073	955	15.06

Atom	y (Å)	z (Å)
C1	0.000	-0.514
N2	0.000	0.746
H3	0.929	-1.069
H4	-0.929	-1.069

	C1	N2	H3	H4
C1		1.2601	1.0821	1.0821
N2	1.2601		2.0388	2.0388
H3	1.0821	2.0388		1.8583
H4	1.0821	2.0388	1.8583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.835		N2	C1	H4	120.835
H3	C1	H4	118.330

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

using model chemistry: ROHF/6-31G*

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	-0.172
2	N	-0.225
3	H	0.198
4	H	0.198

	x	y	z	Total
	0.000	0.000	-2.408	2.408
CHELPG
AIM
ESP

<r²>	17.119
(<r²>)^1/2	4.137

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

using model chemistry: ROHF/6-31G*

States and conformations

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