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	hartrees
Energy at 0K	-93.959482
Energy at 298.15K	-93.960845
HF Energy	-93.959482
Nuclear repulsion energy	27.588140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3018	2881	0.00
2	A₁	1752	1673	0.58
3	A₁	1385	1322	14.87
4	B₁	1001	955	28.87
5	B₂	3083	2943	9.62
6	B₂	934	892	6.28

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.739
H3	0.935	-1.078
H4	-0.935	-1.078

	C1	N2	H3	H4
C1		1.2420	1.0976	1.0976
N2	1.2420		2.0435	2.0435
H3	1.0976	2.0435		1.8699
H4	1.0976	2.0435	1.8699

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.593		N2	C1	H4	121.593
H3	C1	H4	116.813

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.203
2	N	-0.147
3	H	0.175
4	H	0.175

	x	y	z	Total
	0.000	0.000	-2.361	2.361
CHELPG
AIM
ESP

<r²>	16.835
(<r²>)^1/2	4.103

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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