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	hartrees
Energy at 0K	-94.527409
Energy at 298.15K	-94.530324
HF Energy	-94.409486
Nuclear repulsion energy	32.925498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3594	3594	28.41	69.87	0.69	0.82
2	A'	3440	3440	5.72	286.47	0.23	0.37
3	A'	2960	2960	89.10	144.27	0.52	0.68
4	A'	1696	1696	17.43	14.89	0.64	0.78
5	A'	1439	1439	16.77	15.37	0.17	0.29
6	A'	1396	1396	14.02	3.77	0.24	0.39
7	A'	1078	1078	21.90	7.79	0.35	0.52
8	A"	1163	1163	10.35	0.30	0.75	0.86
9	A"	808	808	150.29	0.13	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.785
N2	0.063	-0.524
H3	-0.996	1.097
H4	-0.759	-1.122
H5	0.941	-1.021

	C1	N2	H3	H4	H5
C1		1.3090	1.1029	2.0769	2.0087
N2	1.3090		1.9352	1.0166	1.0097
H3	1.1029	1.9352		2.2313	2.8698
H4	2.0769	1.0166	2.2313		1.7036
H5	2.0087	1.0097	2.8698	1.7036

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.063		C1	N2	H5	119.501
N2	C1	H3	106.393		H4	N2	H5	114.436

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	-0.067
2	N	-0.428
3	H	0.133
4	H	0.168
5	H	0.195

	x	y	z	Total
	-1.381	-3.268	0.000	3.548
CHELPG
AIM
ESP

	x	y	z
x	3.554	0.082	0.002
y	0.082	4.684	0.001
z	0.002	0.001	2.858

<r²>	20.058
(<r²>)^1/2	4.479

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)