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	hartrees
Energy at 0K	-132.593592
Energy at 298.15K	-132.596081
HF Energy	-132.424666
Nuclear repulsion energy	61.146758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3033	3.14
2	A'	3138	2994	4.43
3	A'	2011	1919	272.15
4	A'	1510	1440	4.96
5	A'	1223	1167	8.13
6	A'	878	838	435.66
7	A'	683	652	102.88
8	A'	478	456	25.99
9	A"	3290	3139	1.24
10	A"	1153	1100	6.23
11	A"	967	923	9.54
12	A"	353	337	5.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.191	-1.165	0.000
N2	0.000	0.102	0.000
C3	-0.348	1.266	0.000
H4	0.267	-1.687	0.941
H5	0.267	-1.687	-0.941
H6	0.407	2.050	0.000

	C1	N2	C3	H4	H5	H6
C1		1.2810	2.4895	1.0789	1.0789	3.2221
N2	1.2810		1.2147	2.0391	2.0391	1.9902
C3	2.4895	1.2147		3.1597	3.1597	1.0886
H4	1.0789	2.0391	3.1597		1.8817	3.8567
H5	1.0789	2.0391	3.1597	1.8817		3.8567
H6	3.2221	1.9902	1.0886	3.8567	3.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	171.941	N2	C1	H4	119.303
N2	C1	H5	119.303	N2	C3	H6	119.457
H4	C1	H5	121.392

All results from a given calculation for H₂CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for H2CNCH (methyleneaminomethylene)

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

All results from a given calculation for H₂CNCH (methyleneaminomethylene)