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	hartrees
Energy at 0K	-93.959704
Energy at 298.15K	-93.961064
HF Energy	-93.959704
Nuclear repulsion energy	27.677239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2987	2868	0.01
2	A₁	1752	1682	0.92
3	A₁	1375	1321	16.63
4	B₁	988	949	36.07
5	B₂	3048	2926	12.18
6	B₂	924	887	5.97

Atom	y (Å)	z (Å)
C1	0.000	-0.501
N2	0.000	0.736
H3	0.935	-1.075
H4	-0.935	-1.075

	C1	N2	H3	H4
C1		1.2366	1.0975	1.0975
N2	1.2366		2.0379	2.0379
H3	1.0975	2.0379		1.8709
H4	1.0975	2.0379	1.8709

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.532		N2	C1	H4	121.532
H3	C1	H4	116.936

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

using model chemistry: B1B95/6-311G**

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	-0.102
2	N	-0.184
3	H	0.143
4	H	0.143

	x	y	z	Total
	0.000	0.000	-2.405	2.405
CHELPG
AIM
ESP

<r²>	16.893
(<r²>)^1/2	4.110

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

using model chemistry: B1B95/6-311G**

States and conformations

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