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	hartrees
Energy at 0K	-93.924665
Energy at 298.15K	-93.926046
HF Energy	-93.924665
Nuclear repulsion energy	27.312482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	2903	0.17
2	A₁	1703	1612	1.69
3	A₁	1439	1362	14.29
4	B₁	1036	980	58.02
5	B₂	3140	2973	13.54
6	B₂	988	935	4.11

Atom	y (Å)	z (Å)
C1	0.000	-0.512
N2	0.000	0.749
H3	0.930	-1.088
H4	-0.930	-1.088

	C1	N2	H3	H4
C1		1.2609	1.0941	1.0941
N2	1.2609		2.0594	2.0594
H3	1.0941	2.0594		1.8595
H4	1.0941	2.0594	1.8595

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.810		N2	C1	H4	121.810
H3	C1	H4	116.380

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

using model chemistry: mPW1PW91/6-31G

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	-0.213
2	N	-0.193
3	H	0.203
4	H	0.203

	x	y	z	Total
	0.000	0.000	-2.512	2.512
CHELPG
AIM
ESP

<r²>	17.175
(<r²>)^1/2	4.144

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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