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	hartrees
Energy at 0K	-186.781390
Energy at 298.15K
HF Energy	-186.781390
Nuclear repulsion energy	89.341668

Atom	x (Å)	y (Å)
C1	0.289	-0.588
C2	-0.289	0.588
N3	0.289	-1.835
N4	-0.289	1.835
H5	1.234	-2.236
H6	-1.234	2.236

	C1	C2	N3	N4	H5	H6
C1		1.3098	1.2475	2.4910	1.9001	3.2083
C2	1.3098		2.4910	1.2475	3.2083	1.9001
N3	1.2475	2.4910		3.7158	1.0269	4.3469
N4	2.4910	1.2475	3.7158		4.3469	1.0269
H5	1.9001	3.2083	1.0269	4.3469		5.1080
H6	3.2083	1.9001	4.3469	1.0269	5.1080

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	153.837		C1	N3	H5	112.961
C2	C1	N3	153.837		C2	N4	H6	112.961

Number	Element	Mulliken
1	C	0.165
2	C	0.165
3	N	-0.464
4	N	-0.464
5	H	0.300
6	H	0.300

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B97D3/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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<r²>	80.448
(<r²>)^1/2	8.969