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	hartrees
Energy at 0K	-93.945414
Energy at 298.15K	-93.946775
HF Energy	-93.945414
Nuclear repulsion energy	27.486382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3004	2879	0.04
2	A₁	1745	1672	0.64
3	A₁	1389	1331	12.77
4	B₁	990	949	34.69
5	B₂	3066	2939	13.69
6	B₂	935	896	5.21

Atom	y (Å)	z (Å)
C1	0.000	-0.505
N2	0.000	0.742
H3	0.936	-1.083
H4	-0.936	-1.083

	C1	N2	H3	H4
C1		1.2472	1.1003	1.1003
N2	1.2472		2.0514	2.0514
H3	1.1003	2.0514		1.8722
H4	1.1003	2.0514	1.8722

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N2	C1	H3	121.700		N2	C1	H4	121.700
H3	C1	H4	116.600

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

using model chemistry: B3PW91/6-31G**

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	-0.075
2	N	-0.244
3	H	0.159
4	H	0.159

	x	y	z	Total
	0.000	0.000	-2.384	2.384
CHELPG
AIM
ESP

<r²>	16.951
(<r²>)^1/2	4.117

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

using model chemistry: B3PW91/6-31G**

States and conformations

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