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	hartrees
Energy at 0K	-93.957353
Energy at 298.15K	-93.958702
HF Energy	-93.957353
Nuclear repulsion energy	27.501508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2901	2861	0.92
2	A₁	1678	1655	1.36
3	A₁	1346	1327	14.33
4	B₁	958	945	31.03
5	B₂	2947	2906	17.34
6	B₂	906	894	6.10

Atom	y (Å)	z (Å)
C1	0.000	-0.503
N2	0.000	0.741
H3	0.938	-1.085
H4	-0.938	-1.085

	C1	N2	H3	H4
C1		1.2447	1.1036	1.1036
N2	1.2447		2.0528	2.0528
H3	1.1036	2.0528		1.8761
H4	1.1036	2.0528	1.8761

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.187		N2	C1	H4	121.187
H3	C1	H4	117.626

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

using model chemistry: B97D3/cc-pVTZ

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	-0.081
2	N	-0.123
3	H	0.102
4	H	0.102

	x	y	z	Total
	0.000	0.000	-2.382	2.382
CHELPG
AIM
ESP

<r²>	17.083
(<r²>)^1/2	4.133

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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