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	hartrees
Energy at 0K	-186.677301
Energy at 298.15K
HF Energy	-185.756945
Nuclear repulsion energy	89.452880

Atom	x (Å)	y (Å)
C1	0.272	-0.593
C2	-0.272	0.593
N3	0.272	-1.841
N4	-0.272	1.841
H5	1.217	-2.223
H6	-1.217	2.223

	C1	C2	N3	N4	H5	H6
C1		1.3051	1.2478	2.4942	1.8845	3.1860
C2	1.3051		2.4942	1.2478	3.1860	1.8845
N3	1.2478	2.4942		3.7220	1.0198	4.3286
N4	2.4942	1.2478	3.7220		4.3286	1.0198
H5	1.8845	3.1860	1.0198	4.3286		5.0696
H6	3.1860	1.8845	4.3286	1.0198	5.0696

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	155.371		C1	N3	H5	112.020
C2	C1	N3	155.371		C2	N4	H6	112.020

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

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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