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	hartrees
Energy at 0K	-94.551791
Energy at 298.15K	-94.554702
HF Energy	-94.551791
Nuclear repulsion energy	32.732097

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'	3462	3412	8.07	115.53	0.59	0.74
2	A'	3251	3204	63.46	544.97	0.32	0.48
3	A'	2842	2801	126.87	187.12	0.58	0.73
4	A'	1672	1648	4.78	38.18	0.45	0.62
5	A'	1409	1389	16.68	9.48	0.51	0.68
6	A'	1359	1339	12.92	2.01	0.70	0.82
7	A'	1061	1046	28.19	21.89	0.47	0.64
8	A"	1145	1129	9.93	2.11	0.75	0.86
9	A"	819	807	166.73	1.09	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.790
N2	0.063	-0.524
H3	-1.011	1.092
H4	-0.754	-1.146
H5	0.949	-1.022

	C1	N2	H3	H4	H5
C1		1.3141	1.1148	2.1022	2.0176
N2	1.3141		1.9394	1.0274	1.0167
H3	1.1148	1.9394		2.2528	2.8823
H4	2.1022	1.0274	2.2528		1.7078
H5	2.0176	1.0167	2.8823	1.7078

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.311		C1	N2	H5	119.358
N2	C1	H3	105.679		H4	N2	H5	113.331

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/TZVP

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	-0.211
2	N	-0.300
3	H	0.059
4	H	0.198
5	H	0.255

	x	y	z	Total
	-1.301	-3.259	0.000	3.508
CHELPG
AIM
ESP

<r²>	20.067
(<r²>)^1/2	4.480

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)