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	hartrees
Energy at 0K	-93.990084
Energy at 298.15K	-93.991449
HF Energy	-93.990084
Nuclear repulsion energy	27.690894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2996	2871	0.12
2	A₁	1742	1669	0.74
3	A₁	1377	1320	17.19
4	B₁	999	957	34.90
5	B₂	3059	2930	7.10
6	B₂	934	895	8.13

Atom	y (Å)	z (Å)
C1	0.000	-0.501
N2	0.000	0.736
H3	0.936	-1.071
H4	-0.936	-1.071

	C1	N2	H3	H4
C1		1.2366	1.0960	1.0960
N2	1.2366		2.0348	2.0348
H3	1.0960	2.0348		1.8722
H4	1.0960	2.0348	1.8722

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.343		N2	C1	H4	121.343
H3	C1	H4	117.313

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

using model chemistry: mPW1PW91/aug-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	-0.250
2	N	-0.400
3	H	0.325
4	H	0.325

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

<r²>	17.001
(<r²>)^1/2	4.123

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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