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	hartrees
Energy at 0K	-93.337754
Energy at 298.15K	-93.339104
HF Energy	-93.337754
Nuclear repulsion energy	27.111917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2896	2870	0.09
2	A₁	1597	1582	4.25
3	A₁	1383	1370	12.25
4	B₁	973	964	55.73
5	B₂	2930	2903	20.82
6	B₂	910	902	1.28

Atom	y (Å)	z (Å)
C1	0.000	-0.511
N2	0.000	0.756
H3	0.932	-1.112
H4	-0.932	-1.112

	C1	N2	H3	H4
C1		1.2662	1.1091	1.1091
N2	1.2662		2.0874	2.0874
H3	1.1091	2.0874		1.8634
H4	1.1091	2.0874	1.8634

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.856		N2	C1	H4	122.856
H3	C1	H4	114.289

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

using model chemistry: PBEPBE/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	-0.217
2	N	-0.248
3	H	0.233
4	H	0.233

	x	y	z	Total
	0.000	0.000	-2.258	2.258
CHELPG
AIM
ESP

<r²>	17.285
(<r²>)^1/2	4.157

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

using model chemistry: PBEPBE/3-21G

States and conformations

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