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	hartrees
Energy at 0K	-93.830301
Energy at 298.15K	-93.831595
HF Energy	-93.830301
Nuclear repulsion energy	27.585324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3162	24.54
2	A₁	1557	1548	22.92
3	A₁	1400	1392	6.11
4	B₁	725	721	143.22
5	B₂	3204	3184	1.45
6	B₂	973	967	0.34

Atom	y (Å)	z (Å)
C1	0.000	-0.858
N2	0.000	0.446
H3	0.868	1.013
H4	-0.868	1.013

	C1	N2	H3	H4
C1		1.3031	2.0623	2.0623
N2	1.3031		1.0369	1.0369
H3	2.0623	1.0369		1.7350
H4	2.0623	1.0369	1.7350

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H3	123.210		C1	N2	H4	123.210
H3	N2	H4	113.580

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	-0.293
2	N	0.317
3	H	-0.012
4	H	-0.012

	x	y	z	Total
	0.000	0.000	3.726	3.726
CHELPG
AIM
ESP

<r²>	17.595
(<r²>)^1/2	4.195

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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