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	hartrees
Energy at 0K	-93.901629
Energy at 298.15K	-93.902920
HF Energy	-93.901629
Nuclear repulsion energy	27.733062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3199	3.46
2	A₁	1593	1538	32.18
3	A₁	1445	1395	6.45
4	B₁	705	680	152.04
5	B₂	3367	3249	1.01
6	B₂	999	964	0.07

Atom	y (Å)	z (Å)
C1	0.000	-0.854
N2	0.000	0.444
H3	0.861	1.008
H4	-0.861	1.008

	C1	N2	H3	H4
C1		1.2972	2.0512	2.0512
N2	1.2972		1.0295	1.0295
H3	2.0512	1.0295		1.7218
H4	2.0512	1.0295	1.7218

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H3	123.257		C1	N2	H4	123.257
H3	N2	H4	113.485

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

using model chemistry: B3PW91/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	-0.221
2	N	-0.024
3	H	0.122
4	H	0.122

	x	y	z	Total
	0.000	0.000	3.738	3.738
CHELPG
AIM
ESP

<r²>	17.027
(<r²>)^1/2	4.126

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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