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	hartrees
Energy at 0K	-93.948805
Energy at 298.15K	-93.950157
HF Energy	-93.948805
Nuclear repulsion energy	27.428482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2981	2876	0.00
2	A₁	1737	1676	0.66
3	A₁	1348	1301	15.39
4	B₁	975	941	31.67
5	B₂	3047	2941	10.54
6	B₂	908	876	6.01

Atom	y (Å)	z (Å)
C1	0.000	-0.505
N2	0.000	0.743
H3	0.944	-1.086
H4	-0.944	-1.086

	C1	N2	H3	H4
C1		1.2473	1.1084	1.1084
N2	1.2473		2.0579	2.0579
H3	1.1084	2.0579		1.8871
H4	1.1084	2.0579	1.8871

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.647		N2	C1	H4	121.647
H3	C1	H4	116.705

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.011
2	N	-0.146
3	H	0.078
4	H	0.078

	x	y	z	Total
	0.000	0.000	-2.296	2.296
CHELPG
AIM
ESP

<r²>	16.993
(<r²>)^1/2	4.122

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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