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	hartrees
Energy at 0K	-230.177196
Energy at 298.15K
HF Energy	-229.387861
Nuclear repulsion energy	165.844191

Atom	y (Å)	z (Å)
C1	0.674	1.120
C2	-0.674	1.120
C3	1.457	-0.069
C4	-1.457	-0.069
H5	1.193	2.050
H6	-1.193	2.050
C7	2.141	-1.067
C8	-2.141	-1.067
H9	2.713	-1.953
H10	-2.713	-1.953

	C1	C2	C3	C4	H5	H6	C7	C8	H9	H10
C1		1.3476	1.4237	2.4400	1.0648	2.0852	2.6330	3.5641	3.6882	4.5733
C2	1.3476		2.4400	1.4237	2.0852	1.0648	3.5641	2.6330	4.5733	3.6882
C3	1.4237	2.4400		2.9137	2.1353	3.3926	1.2093	3.7335	2.2645	4.5758
C4	2.4400	1.4237	2.9137		3.3926	2.1353	3.7335	1.2093	4.5758	2.2645
H5	1.0648	2.0852	2.1353	3.3926		2.3853	3.2572	4.5632	4.2820	5.5927
H6	2.0852	1.0648	3.3926	2.1353	2.3853		4.5632	3.2572	5.5927	4.2820
C7	2.6330	3.5641	1.2093	3.7335	3.2572	4.5632		4.2819	1.0554	4.9342
C8	3.5641	2.6330	3.7335	1.2093	4.5632	3.2572	4.2819		4.9342	1.0554
H9	3.6882	4.5733	2.2645	4.5758	4.2820	5.5927	1.0554	4.9342		5.4259
H10	4.5733	3.6882	4.5758	2.2645	5.5927	4.2820	4.9342	1.0554	5.4259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.367	C1	C2	H6	119.163
C1	C3	C7	178.919	C2	C1	C3	123.367
C2	C1	H5	119.163	C2	C4	C8	178.919
C3	C1	H5	117.470	C3	C7	H9	178.372
C4	C2	H6	117.470	C4	C8	H10	178.372

All results from a given calculation for C₆H₄ ((Z)-Hexa-1,5-diyne-3-ene)

using model chemistry: MP3/6-31+G**

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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All results from a given calculation for C6H4 ((Z)-Hexa-1,5-diyne-3-ene)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆H₄ ((Z)-Hexa-1,5-diyne-3-ene)