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	hartrees
Energy at 0K	-228.966784
Energy at 298.15K
HF Energy	-228.172536
Nuclear repulsion energy	142.605274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3535	3303	0.00
2	Σ_g	2239	2092	0.00
3	Σ_g	2031	1898	0.00
4	Σ_g	628	587	0.00
5	Σ_u	3535	3303	214.13
6	Σ_u	2153	2012	1.57
7	Σ_u	1195	1117	1.22
8	Π_g	575	537	0.00
8	Π_g	575	537	0.00
9	Π_g	333	311	0.00
9	Π_g	333	311	0.00
10	Π_g	306i	286i	0.00
10	Π_g	306i	286i	0.00
11	Π_u	582	544	32.04
11	Π_u	582	544	32.04
12	Π_u	500	467	68.08
12	Π_u	500	467	68.08
13	Π_u	120	112	2.80
13	Π_u	120	112	2.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.617
C2	0.000	0.000	-0.617
C3	0.000	0.000	1.981
C4	0.000	0.000	-1.981
C5	0.000	0.000	3.208
C6	0.000	0.000	-3.208
H7	0.000	0.000	4.270
H8	0.000	0.000	-4.270

	C1	C2	C3	C4	C5	C6	H7	H8
C1		1.2340	1.3644	2.5984	2.5905	3.8245	3.6531	4.8871
C2	1.2340		2.5984	1.3644	3.8245	2.5905	4.8871	3.6531
C3	1.3644	2.5984		3.9628	1.2261	5.1889	2.2887	6.2515
C4	2.5984	1.3644	3.9628		5.1889	1.2261	6.2515	2.2887
C5	2.5905	3.8245	1.2261	5.1889		6.4150	1.0626	7.4776
C6	3.8245	2.5905	5.1889	1.2261	6.4150		7.4776	1.0626
H7	3.6531	4.8871	2.2887	6.2515	1.0626	7.4776		8.5402
H8	4.8871	3.6531	6.2515	2.2887	7.4776	1.0626	8.5402

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: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₂ (hexatriyne)