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	hartrees
Energy at 0K	-94.539935
Energy at 298.15K	-94.542851
HF Energy	-94.409511
Nuclear repulsion energy	32.943364

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'	3596	3596	28.42	69.85	0.69	0.82
2	A'	3443	3443	5.78	286.91	0.23	0.37
3	A'	2964	2964	88.32	143.89	0.52	0.69
4	A'	1697	1697	17.52	14.89	0.64	0.78
5	A'	1441	1441	16.25	15.08	0.17	0.29
6	A'	1396	1396	14.35	4.07	0.23	0.37
7	A'	1078	1078	21.99	7.79	0.35	0.52
8	A"	1164	1164	10.36	0.30	0.75	0.86
9	A"	810	810	150.19	0.13	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.785
N2	0.063	-0.523
H3	-0.995	1.097
H4	-0.759	-1.122
H5	0.941	-1.021

	C1	N2	H3	H4	H5
C1		1.3081	1.1023	2.0759	2.0077
N2	1.3081		1.9346	1.0162	1.0094
H3	1.1023	1.9346		2.2309	2.8688
H4	2.0759	1.0162	2.2309		1.7029
H5	2.0077	1.0094	2.8688	1.7029

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.065		C1	N2	H5	119.510
N2	C1	H3	106.440		H4	N2	H5	114.424

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CHNH2 (aminomethylene)

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

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)