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	hartrees
Energy at 0K	-186.668534
Energy at 298.15K
HF Energy	-185.756509
Nuclear repulsion energy	89.495594

Atom	x (Å)	y (Å)
C1	0.262	-0.596
C2	-0.262	0.596
N3	0.262	-1.844
N4	-0.262	1.844
H5	1.209	-2.221
H6	-1.209	2.221

	C1	C2	N3	N4	H5	H6
C1		1.3026	1.2474	2.4956	1.8807	3.1784
C2	1.3026		2.4956	1.2474	3.1784	1.8807
N3	1.2474	2.4956		3.7243	1.0195	4.3228
N4	2.4956	1.2474	3.7243		4.3228	1.0195
H5	1.8807	3.1784	1.0195	4.3228		5.0578
H6	3.1784	1.8807	4.3228	1.0195	5.0578

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	156.279		C1	N3	H5	111.731
C2	C1	N3	156.279		C2	N4	H6	111.731

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: CCSD(T)=FULL/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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