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	hartrees
Energy at 0K	-186.681344
Energy at 298.15K
HF Energy	-186.473640
Nuclear repulsion energy	89.368516

Atom	x (Å)	y (Å)
C1	0.261	-0.597
C2	-0.261	0.597
N3	0.261	-1.846
N4	-0.261	1.846
H5	1.211	-2.229
H6	-1.211	2.229

	C1	C2	N3	N4	H5	H6
C1		1.3033	1.2486	2.4980	1.8880	3.1862
C2	1.3033		2.4980	1.2486	3.1862	1.8880
N3	1.2486	2.4980		3.7282	1.0245	4.3321
N4	2.4980	1.2486	3.7282		4.3321	1.0245
H5	1.8880	3.1862	1.0245	4.3321		5.0729
H6	3.1862	1.8880	4.3321	1.0245	5.0729

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.398		C1	N3	H5	111.943
C2	C1	N3	156.398		C2	N4	H6	111.943

Number	Element	Mulliken
1	C	0.126
2	C	0.126
3	N	-0.332
4	N	-0.332
5	H	0.206
6	H	0.206

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/6-311G**

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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	x	y	z
x	3.862	-2.235	0.000
y	-2.235	10.223	0.000
z	0.000	0.000	2.380

<r²>	80.442
(<r²>)^1/2	8.969