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	hartrees
Energy at 0K	-229.069093
Energy at 298.15K
HF Energy	-228.221445
Nuclear repulsion energy	142.357132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3465	3343
2	Σ_g	2271	2191
3	Σ_g	2043	1971
4	Σ_g	611	589
5	Σ_u	3465	3343
6	Σ_u	2157	2080
7	Σ_u	1161	1120
8	Π_g	603	582
8	Π_g	603	582
9	Π_g	71	69
9	Π_g	71	69
10	Π_g	976i	942i
10	Π_g	976i	942i
11	Π_u	598	577
11	Π_u	598	577
12	Π_u	144	139
12	Π_u	144	139
13	Π_u	117i	112i
13	Π_u	117i	113i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.613
C2	0.000	0.000	-0.613
C3	0.000	0.000	1.991
C4	0.000	0.000	-1.991
C5	0.000	0.000	3.213
C6	0.000	0.000	-3.213
H7	0.000	0.000	4.280
H8	0.000	0.000	-4.280

	C1	C2	C3	C4	C5	C6	H7	H8
C1		1.2270	1.3777	2.6047	2.5994	3.8263	3.6670	4.8940
C2	1.2270		2.6047	1.3777	3.8263	2.5994	4.8940	3.6670
C3	1.3777	2.6047		3.9824	1.2217	5.2040	2.2893	6.2717
C4	2.6047	1.3777	3.9824		5.2040	1.2217	6.2717	2.2893
C5	2.5994	3.8263	1.2217	5.2040		6.4257	1.0677	7.4933
C6	3.8263	2.5994	5.2040	1.2217	6.4257		7.4933	1.0677
H7	3.6670	4.8940	2.2893	6.2717	1.0677	7.4933		8.5610
H8	4.8940	3.6670	6.2717	2.2893	7.4933	1.0677	8.5610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	C6	180.000
C3	C5	H7	180.000	C4	C6	H8	180.000

All results from a given calculation for C₆H₂ (hexatriyne)

using model chemistry: CCSD(T)/6-311G**

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 C6H2 (hexatriyne)

using model chemistry: CCSD(T)/6-311G**

States and conformations

All results from a given calculation for C₆H₂ (hexatriyne)