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	hartrees
Energy at 0K	-93.982443
Energy at 298.15K	-93.983805
HF Energy	-93.982443
Nuclear repulsion energy	27.466793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3002	2883	0.11
2	A₁	1737	1668	0.48
3	A₁	1407	1351	11.42
4	B₁	989	950	31.43
5	B₂	3054	2933	16.83
6	B₂	950	912	5.72

Atom	y (Å)	z (Å)
C1	0.000	-0.505
N2	0.000	0.743
H3	0.936	-1.085
H4	-0.936	-1.085

	C1	N2	H3	H4
C1		1.2480	1.1009	1.1009
N2	1.2480		2.0537	2.0537
H3	1.1009	2.0537		1.8712
H4	1.1009	2.0537	1.8712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.804		N2	C1	H4	121.804
H3	C1	H4	116.392

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

using model chemistry: B3LYP/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	-0.126
2	N	-0.230
3	H	0.178
4	H	0.178

	x	y	z	Total
	0.000	0.000	-2.356	2.356
CHELPG
AIM
ESP

<r²>	16.998
(<r²>)^1/2	4.123

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

using model chemistry: B3LYP/6-31G*

States and conformations

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