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	hartrees
Energy at 0K	-94.500324
Energy at 298.15K	-94.496380
HF Energy	-94.565864
Nuclear repulsion energy	32.698574

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'	3529	3389	6.32	108.19	0.53	0.69
2	A'	3343	3210	35.24	323.80	0.29	0.45
3	A'	2898	2783	140.28	130.11	0.48	0.65
4	A'	1723	1654	5.64	32.04	0.42	0.59
5	A'	1443	1386	18.31	9.11	0.60	0.75
6	A'	1404	1348	12.90	3.65	0.55	0.71
7	A'	1079	1036	26.20	13.59	0.53	0.69
8	A"	1161	1115	9.89	1.17	0.75	0.86
9	A"	786	755	189.27	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.793
N2	0.062	-0.524
H3	-1.013	1.086
H4	-0.748	-1.154
H5	0.950	-1.021

	C1	N2	H3	H4	H5
C1		1.3168	1.1144	2.1087	2.0194
N2	1.3168		1.9358	1.0265	1.0172
H3	1.1144	1.9358		2.2554	2.8794
H4	2.1087	1.0265	2.2554		1.7030
H5	2.0194	1.0172	2.8794	1.7030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.877		C1	N2	H5	119.281
N2	C1	H3	105.240		H4	N2	H5	112.842

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: G3B3

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	-0.134
2	N	-0.615
3	H	0.089
4	H	0.313
5	H	0.347

	x	y	z	Total
	-1.143	-3.163	0.000	3.364
CHELPG
AIM
ESP

<r²>	19.739
(<r²>)^1/2	4.443

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: G3B3

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)