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	hartrees
Energy at 0K	-93.342262
Energy at 298.15K	-93.343636
HF Energy	-93.342262
Nuclear repulsion energy	27.349756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3020	2898	0.67
2	A₁	1666	1599	3.36
3	A₁	1432	1374	12.94
4	B₁	1027	985	59.68
5	B₂	3073	2950	13.78
6	B₂	963	925	2.54

Atom	y (Å)	z (Å)
C1	0.000	-0.508
N2	0.000	0.748
H3	0.927	-1.095
H4	-0.927	-1.095

	C1	N2	H3	H4
C1		1.2567	1.0971	1.0971
N2	1.2567		2.0634	2.0634
H3	1.0971	2.0634		1.8540
H4	1.0971	2.0634	1.8540

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	122.336		N2	C1	H4	122.336
H3	C1	H4	115.329

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

using model chemistry: PBE1PBE/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	-0.235
2	N	-0.259
3	H	0.247
4	H	0.247

	x	y	z	Total
	0.000	0.000	-2.345	2.345
CHELPG
AIM
ESP

<r²>	17.110
(<r²>)^1/2	4.136

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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