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	hartrees
Energy at 0K	-94.585649
Energy at 298.15K	-94.588568
HF Energy	-94.585649
Nuclear repulsion energy	33.008272

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'	3605	3605	25.19	78.76	0.69	0.81
2	A'	3468	3468	3.91	271.56	0.21	0.35
3	A'	2951	2951	93.87	157.89	0.47	0.64
4	A'	1699	1699	22.72	13.40	0.65	0.79
5	A'	1457	1457	16.76	10.83	0.17	0.29
6	A'	1398	1398	16.79	9.56	0.08	0.14
7	A'	1088	1088	21.44	7.77	0.23	0.37
8	A"	1159	1159	10.62	0.15	0.75	0.86
9	A"	813	813	150.81	0.17	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.522
H3	-0.997	1.095
H4	-0.758	-1.117
H5	0.940	-1.018

	C1	N2	H3	H4	H5
C1		1.3043	1.1047	2.0695	2.0033
N2	1.3043		1.9332	1.0143	1.0085
H3	1.1047	1.9332		2.2251	2.8671
H4	2.0695	1.0143	2.2251		1.7018
H5	2.0033	1.0085	2.8671	1.7018

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.940		C1	N2	H5	119.494
N2	C1	H3	106.446		H4	N2	H5	114.566

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	-0.084
2	N	-0.616
3	H	0.079
4	H	0.271
5	H	0.350

	x	y	z	Total
	-1.387	-3.280	0.000	3.561
CHELPG
AIM
ESP

	x	y	z
x	3.759	0.075	0.000
y	0.075	4.674	0.000
z	0.000	0.000	3.019

<r²>	19.870
(<r²>)^1/2	4.458

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)