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	hartrees
Energy at 0K	-93.920990
Energy at 298.15K	-93.922336
HF Energy	-93.920990
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2934	2877	0.97
2	A₁	1689	1656	0.99
3	A₁	1376	1349	10.11
4	B₁	952	934	32.10
5	B₂	2980	2922	22.87
6	B₂	921	903	4.42

Atom	y (Å)	z (Å)
C1	0.000	-0.508
N2	0.000	0.748
H3	0.939	-1.094
H4	-0.939	-1.094

	C1	N2	H3	H4
C1		1.2552	1.1066	1.1066
N2	1.2552		2.0666	2.0666
H3	1.1066	2.0666		1.8776
H4	1.1066	2.0666	1.8776

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.391		N2	C1	H4	121.391
H3	C1	H4	117.219

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

using model chemistry: B97D3/6-31G*

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	-0.132
2	N	-0.226
3	H	0.179
4	H	0.179

	x	y	z	Total
	0.000	0.000	-2.330	2.330
CHELPG
AIM
ESP

<r²>	17.082
(<r²>)^1/2	4.133

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

using model chemistry: B97D3/6-31G*

States and conformations

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