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	hartrees
Energy at 0K	-93.452327
Energy at 298.15K	-93.453719
HF Energy	-93.452327
Nuclear repulsion energy	27.496438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3196	2890	0.69
2	A₁	1628	1472	15.26
3	A₁	1431	1294	0.23
4	B₁	1025	927	33.15
5	B₂	3281	2967	18.69
6	B₂	1073	970	15.66

Atom	y (Å)	z (Å)
C1	0.000	-0.512
N2	0.000	0.743
H3	0.931	-1.066
H4	-0.931	-1.066

	C1	N2	H3	H4
C1		1.2551	1.0833	1.0833
N2	1.2551		2.0344	2.0344
H3	1.0833	2.0344		1.8621
H4	1.0833	2.0344	1.8621

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	120.742		N2	C1	H4	120.742
H3	C1	H4	118.516

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

using model chemistry: HF/6-311G*

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	-0.284
2	N	-0.183
3	H	0.233
4	H	0.233

	x	y	z	Total
	0.000	0.000	-2.411	2.411
CHELPG
AIM
ESP

<r²>	17.106
(<r²>)^1/2	4.136

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

using model chemistry: HF/6-311G*

States and conformations

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