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	hartrees
Energy at 0K	-94.578830
Energy at 298.15K	-94.581745
HF Energy	-94.578830
Nuclear repulsion energy	32.988145

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'	3603	3603	24.21	78.02	0.68	0.81
2	A'	3465	3465	4.50	273.57	0.22	0.35
3	A'	2951	2951	95.07	158.69	0.47	0.63
4	A'	1698	1698	22.54	13.55	0.65	0.79
5	A'	1456	1456	17.25	11.11	0.16	0.28
6	A'	1396	1396	16.56	10.07	0.07	0.13
7	A'	1086	1086	21.25	7.85	0.22	0.36
8	A"	1159	1159	10.64	0.13	0.75	0.86
9	A"	811	811	150.28	0.17	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.522
H3	-0.997	1.095
H4	-0.759	-1.118
H5	0.941	-1.019

	C1	N2	H3	H4	H5
C1		1.3052	1.1050	2.0710	2.0044
N2	1.3052		1.9339	1.0149	1.0090
H3	1.1050	1.9339		2.2262	2.8681
H4	2.0710	1.0149	2.2262		1.7030
H5	2.0044	1.0090	2.8681	1.7030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.952		C1	N2	H5	119.469
N2	C1	H3	106.422		H4	N2	H5	114.579

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/daug-cc-pVTZ

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	-1.273
2	N	-0.411
3	H	0.721
4	H	0.320
5	H	0.643

	x	y	z	Total
	-1.383	-3.275	0.000	3.555
CHELPG
AIM
ESP

	x	y	z
x	3.783	0.078	0.000
y	0.078	4.700	0.000
z	0.000	0.000	3.044

<r²>	19.891
(<r²>)^1/2	4.460

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)