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	hartrees
Energy at 0K	-93.419473
Energy at 298.15K	-93.420845
HF Energy	-93.419473
Nuclear repulsion energy	27.324589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3002	2885	0.38
2	A₁	1652	1588	3.41
3	A₁	1428	1372	12.58
4	B₁	1019	980	58.72
5	B₂	3052	2933	16.02
6	B₂	958	921	2.42

Atom	y (Å)	z (Å)
C1	0.000	-0.509
N2	0.000	0.749
H3	0.927	-1.097
H4	-0.927	-1.097

	C1	N2	H3	H4
C1		1.2578	1.0980	1.0980
N2	1.2578		2.0659	2.0659
H3	1.0980	2.0659		1.8539
H4	1.0980	2.0659	1.8539

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.411		N2	C1	H4	122.411
H3	C1	H4	115.179

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

using model chemistry: B3PW91/3-21G

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	-0.229
2	N	-0.258
3	H	0.244
4	H	0.244

	x	y	z	Total
	0.000	0.000	-2.339	2.339
CHELPG
AIM
ESP

<r²>	17.112
(<r²>)^1/2	4.137

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

using model chemistry: B3PW91/3-21G

States and conformations

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