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	hartrees
Energy at 0K	-186.462943
Energy at 298.15K
HF Energy	-185.748188
Nuclear repulsion energy	89.621616

Atom	x (Å)	y (Å)
C1	0.233	-0.606
C2	-0.233	0.606
N3	0.233	-1.850
N4	-0.233	1.850
H5	1.181	-2.227
H6	-1.181	2.227

	C1	C2	N3	N4	H5	H6
C1		1.2985	1.2437	2.4995	1.8776	3.1659
C2	1.2985		2.4995	1.2437	3.1659	1.8776
N3	1.2437	2.4995		3.7286	1.0204	4.3146
N4	2.4995	1.2437	3.7286		4.3146	1.0204
H5	1.8776	3.1659	1.0204	4.3146		5.0410
H6	3.1659	1.8776	4.3146	1.0204	5.0410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.984		C1	N3	H5	111.678
C2	C1	N3	158.984		C2	N4	H6	111.678

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CCD/daug-cc-pVTZ

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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