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	hartrees
Energy at 0K	-93.941666
Energy at 298.15K	-93.943017
HF Energy	-93.941666
Nuclear repulsion energy	27.517946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2994	2878	0.09
2	A₁	1759	1691	0.69
3	A₁	1347	1295	15.59
4	B₁	975	937	31.07
5	B₂	3062	2943	9.85
6	B₂	903	867	6.00

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.740
H3	0.942	-1.082
H4	-0.942	-1.082

	C1	N2	H3	H4
C1		1.2428	1.1059	1.1059
N2	1.2428		2.0515	2.0515
H3	1.1059	2.0515		1.8833
H4	1.1059	2.0515	1.8833

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.623		N2	C1	H4	121.623
H3	C1	H4	116.755

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

using model chemistry: B1B95/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	0.006
2	N	-0.143
3	H	0.068
4	H	0.068

	x	y	z	Total
	0.000	0.000	-2.280	2.280
CHELPG
AIM
ESP

<r²>	16.925
(<r²>)^1/2	4.114

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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