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	hartrees
Energy at 0K	-132.573346
Energy at 298.15K	-132.568685
HF Energy	-132.669680
Nuclear repulsion energy	60.935557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3042	0.55
2	A'	3089	2966	23.13
3	A'	2021	1941	176.37
4	A'	1522	1462	1.38
5	A'	1241	1192	10.46
6	A'	956	918	324.88
7	A'	713	685	77.84
8	A'	494	475	20.23
9	A"	3268	3138	5.21
10	A"	1157	1111	6.09
11	A"	972	934	7.70
12	A"	351	337	3.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.152	-1.170	0.000
N2	0.000	0.100	0.000
C3	-0.309	1.285	0.000
H4	0.218	-1.703	0.943
H5	0.218	-1.703	-0.943
H6	0.510	2.015	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2784	2.4976	1.0850	1.0850	3.2049
N2	1.2784		1.2250	2.0456	2.0456	1.9822
C3	2.4976	1.2250		3.1769	3.1769	1.0970
H4	1.0850	2.0456	3.1769		1.8855	3.8466
H5	1.0850	2.0456	3.1769	1.8855		3.8466
H6	3.2049	1.9822	1.0970	3.8466	3.8466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	172.121	N2	C1	H4	119.637
N2	C1	H5	119.637	N2	C3	H6	117.098
H4	C1	H5	120.723

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: G3B3

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	-0.262
2	N	-0.094
3	C	-0.147
4	H	0.170
5	H	0.170
6	H	0.163

	x	y	z	Total
	1.399	-0.927	0.000	1.678
CHELPG
AIM
ESP

<r²>	41.978
(<r²>)^1/2	6.479

All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: G3B3

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)