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	hartrees
Energy at 0K	-93.866234
Energy at 298.15K	-93.867600
HF Energy	-93.866234
Nuclear repulsion energy	27.508300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3036	2893	0.02
2	A₁	1762	1679	0.57
3	A₁	1405	1340	12.18
4	B₁	996	949	35.70
5	B₂	3097	2952	13.01
6	B₂	949	904	5.27

Atom	y (Å)	z (Å)
C1	0.000	-0.505
N2	0.000	0.741
H3	0.936	-1.082
H4	-0.936	-1.082

	C1	N2	H3	H4
C1		1.2460	1.0998	1.0998
N2	1.2460		2.0494	2.0494
H3	1.0998	2.0494		1.8724
H4	1.0998	2.0494	1.8724

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.648		N2	C1	H4	121.648
H3	C1	H4	116.704

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

using model chemistry: PBE1PBE/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	-0.179
2	N	-0.224
3	H	0.201
4	H	0.201

	x	y	z	Total
	0.000	0.000	-2.384	2.384
CHELPG
AIM
ESP

<r²>	16.953
(<r²>)^1/2	4.117

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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