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	hartrees
Energy at 0K	-93.932134
Energy at 298.15K	-93.933449
HF Energy	-93.932134
Nuclear repulsion energy	27.903294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3372	3226	1.73
2	A₁	1638	1567	39.05
3	A₁	1460	1397	10.80
4	B₁	745	713	180.16
5	B₂	3424	3275	2.00
6	B₂	1033	988	0.47

Atom	y (Å)	z (Å)
C1	0.000	-0.849
N2	0.000	0.442
H3	0.857	0.998
H4	-0.857	0.998

	C1	N2	H3	H4
C1		1.2906	2.0357	2.0357
N2	1.2906		1.0212	1.0212
H3	2.0357	1.0212		1.7131
H4	2.0357	1.0212	1.7131

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H3	122.992		C1	N2	H4	122.992
H3	N2	H4	114.017

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

using model chemistry: mPW1PW91/6-311G**

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	-0.136
2	N	-0.321
3	H	0.229
4	H	0.229

	x	y	z	Total
	0.000	0.000	3.736	3.736
CHELPG
AIM
ESP

<r²>	16.991
(<r²>)^1/2	4.122

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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