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	hartrees
Energy at 0K	-94.493018
Energy at 298.15K	-94.495932
HF Energy	-94.378066
Nuclear repulsion energy	32.856689

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'	3604	3604	16.36	85.84	0.60	0.75
2	A'	3451	3451	5.71	220.40	0.24	0.39
3	A'	2958	2958	103.98	115.40	0.42	0.60
4	A'	1701	1701	10.20	20.17	0.45	0.62
5	A'	1446	1446	16.38	11.28	0.41	0.58
6	A'	1410	1410	9.39	3.87	0.41	0.58
7	A'	1077	1077	21.90	7.56	0.52	0.69
8	A"	1173	1173	9.49	0.92	0.75	0.86
9	A"	805	805	150.36	0.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.523
H3	-1.007	1.081
H4	-0.749	-1.136
H5	0.943	-1.019

	C1	N2	H3	H4	H5
C1		1.3126	1.1088	2.0893	2.0114
N2	1.3126		1.9285	1.0169	1.0104
H3	1.1088	1.9285		2.2323	2.8662
H4	2.0893	1.0169	2.2323		1.6961
H5	2.0114	1.0104	2.8662	1.6961

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.042		C1	N2	H5	119.394
N2	C1	H3	105.273		H4	N2	H5	113.563

All results from a given calculation for CHNH₂ (aminomethylene)

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)