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	hartrees
Energy at 0K	-229.839339
Energy at 298.15K	-229.840345
HF Energy	-229.309248
Nuclear repulsion energy	162.453322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3472	3351	44.02
2	A₁	3190	3079	27.85
3	A₁	2063	1991	4.83
4	A₁	1587	1532	3.65
5	A₁	1265	1221	0.60
6	A₁	856	826	6.51
7	A₁	671	647	34.30
8	A₁	414	399	4.78
9	A₁	94	91	0.29
10	A₂	928	896	0.00
11	A₂	617	595	0.00
12	A₂	555	536	0.00
13	A₂	212	204	0.00
14	B₁	789	761	34.07
15	B₁	618	597	136.42
16	B₁	324	312	18.78
17	B₂	3472	3351	32.30
18	B₂	3163	3054	0.05
19	B₂	2071	1999	0.63
20	B₂	1422	1372	1.59
21	B₂	1014	979	7.46
22	B₂	725	700	21.75
23	B₂	665	642	61.69
24	B₂	227	219	5.81

Atom	y (Å)	z (Å)
C1	0.691	1.130
C2	-0.691	1.130
C3	1.511	-0.066
C4	-1.511	-0.066
H5	1.210	2.095
H6	-1.210	2.095
C7	2.232	-1.085
C8	-2.232	-1.085
H9	2.847	-1.963
H10	-2.847	-1.963

	C1	C2	C3	C4	H5	H6	C7	C8	H9	H10
C1		1.3813	1.4508	2.5060	1.0957	2.1315	2.6989	3.6675	3.7703	4.6991
C2	1.3813		2.5060	1.4508	2.1315	1.0957	3.6675	2.6989	4.6991	3.7703
C3	1.4508	2.5060		3.0224	2.1822	3.4751	1.2482	3.8795	2.3196	4.7531
C4	2.5060	1.4508	3.0224		3.4751	2.1822	3.8795	1.2482	4.7531	2.3196
H5	1.0957	2.1315	2.1822	3.4751		2.4201	3.3404	4.6864	4.3754	5.7380
H6	2.1315	1.0957	3.4751	2.1822	2.4201		4.6864	3.3404	5.7380	4.3754
C7	2.6989	3.6675	1.2482	3.8795	3.3404	4.6864		4.4641	1.0714	5.1545
C8	3.6675	2.6989	3.8795	1.2482	4.6864	3.3404	4.4641		5.1545	1.0714
H9	3.7703	4.6991	2.3196	4.7531	4.3754	5.7380	1.0714	5.1545		5.6944
H10	4.6991	3.7703	4.7531	2.3196	5.7380	4.3754	5.1545	1.0714	5.6944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.442	C1	C2	H6	118.294
C1	C3	C7	179.165	C2	C1	C3	124.442
C2	C1	H5	118.294	C2	C4	C8	179.165
C3	C1	H5	117.264	C3	C7	H9	179.760
C4	C2	H6	117.264	C4	C8	H10	179.760

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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