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	hartrees
Energy at 0K	-94.544982
Energy at 298.15K	-94.547896
HF Energy	-94.544982
Nuclear repulsion energy	32.863586

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'	3616	3616	15.91	86.66	0.64	0.78
2	A'	3479	3479	3.66	201.33	0.23	0.37
3	A'	2924	2924	112.31	120.13	0.42	0.59
4	A'	1699	1699	14.70	18.50	0.47	0.64
5	A'	1458	1458	15.57	9.70	0.31	0.48
6	A'	1408	1408	15.06	5.80	0.64	0.78
7	A'	1084	1084	20.83	6.11	0.55	0.71
8	A"	1162	1162	9.69	1.05	0.75	0.86
9	A"	804	804	154.87	0.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.011	1.081
H4	-0.750	-1.133
H5	0.944	-1.019

	C1	N2	H3	H4	H5
C1		1.3112	1.1129	2.0865	2.0104
N2	1.3112		1.9301	1.0167	1.0112
H3	1.1129	1.9301		2.2294	2.8689
H4	2.0865	1.0167	2.2294		1.6983
H5	2.0104	1.0112	2.8689	1.6983

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.892		C1	N2	H5	119.357
N2	C1	H3	105.243		H4	N2	H5	113.751

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.377
3	H	0.103
4	H	0.274
5	H	0.294

	x	y	z	Total
	-1.162	-3.214	0.000	3.418
CHELPG
AIM
ESP

	x	y	z
x	2.822	-0.279	0.000
y	-0.279	3.681	0.000
z	0.000	0.000	1.750

<r²>	19.572
(<r²>)^1/2	4.424

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)