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	hartrees
Energy at 0K	-93.987459
Energy at 298.15K	-93.988828
HF Energy	-93.987459
Nuclear repulsion energy	27.671593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2999	2861	0.01
2	A₁	1748	1667	0.80
3	A₁	1389	1325	16.36
4	B₁	1007	961	39.66
5	B₂	3062	2921	9.65
6	B₂	944	901	5.47

Atom	y (Å)	z (Å)
C1	0.000	-0.501
N2	0.000	0.736
H3	0.936	-1.073
H4	-0.936	-1.073

	C1	N2	H3	H4
C1		1.2371	1.0973	1.0973
N2	1.2371		2.0374	2.0374
H3	1.0973	2.0374		1.8723
H4	1.0973	2.0374	1.8723

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.447		N2	C1	H4	121.447
H3	C1	H4	117.107

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

using model chemistry: mPW1PW91/TZVP

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	-0.169
2	N	-0.111
3	H	0.140
4	H	0.140

	x	y	z	Total
	0.000	0.000	-2.494	2.494
CHELPG
AIM
ESP

<r²>	16.993
(<r²>)^1/2	4.122

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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