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	hartrees
Energy at 0K	-93.853302
Energy at 298.15K	-93.854598
HF Energy	-93.853302
Nuclear repulsion energy	27.761015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3144	22.85
2	A₁	1564	1545	18.35
3	A₁	1415	1397	5.81
4	B₁	727	718	143.32
5	B₂	3189	3150	2.60
6	B₂	988	976	0.56

Atom	y (Å)	z (Å)
C1	0.000	-0.853
N2	0.000	0.445
H3	0.864	1.003
H4	-0.864	1.003

	C1	N2	H3	H4
C1		1.2979	2.0471	2.0471
N2	1.2979		1.0286	1.0286
H3	2.0471	1.0286		1.7285
H4	2.0471	1.0286	1.7285

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H3	122.837		C1	N2	H4	122.837
H3	N2	H4	114.327

All results from a given calculation for CNH₂ (Aminomethylidyne radical)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.267
2	N	-0.109
3	H	0.188
4	H	0.188

	x	y	z	Total
	0.000	0.000	3.782	3.782
CHELPG
AIM
ESP

<r²>	17.344
(<r²>)^1/2	4.165

All results from a given calculation for CNH2 (Aminomethylidyne radical)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CNH₂ (Aminomethylidyne radical)