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	hartrees
Energy at 0K	-229.191725
Energy at 298.15K	-229.188431
HF Energy	-228.245188
Nuclear repulsion energy	142.983977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3479	3326
2	Σ_g	2285	2185
3	Σ_g	2066	1975
4	Σ_g	615	588
5	Σ_u	3479	3326
6	Σ_u	2175	2079
7	Σ_u	1166	1115
8	Π_g	579	553
8	Π_g	578	552
9	Π_g	236	226
9	Π_g	236	226
10	Π_g	198	189
10	Π_g	198	189
11	Π_u	578	552
11	Π_u	577	552
12	Π_u	353	337
12	Π_u	353	337
13	Π_u	96	92
13	Π_u	96	91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.610
C2	0.000	0.000	-0.610
C3	0.000	0.000	1.982
C4	0.000	0.000	-1.982
C5	0.000	0.000	3.199
C6	0.000	0.000	-3.199
H7	0.000	0.000	4.262
H8	0.000	0.000	-4.262

	C1	C2	C3	C4	C5	C6	H7	H8
C1		1.2209	1.3720	2.5929	2.5881	3.8090	3.6520	4.8729
C2	1.2209		2.5929	1.3720	3.8090	2.5881	4.8729	3.6520
C3	1.3720	2.5929		3.9649	1.2161	5.1810	2.2800	6.2449
C4	2.5929	1.3720	3.9649		5.1810	1.2161	6.2449	2.2800
C5	2.5881	3.8090	1.2161	5.1810		6.3971	1.0639	7.4610
C6	3.8090	2.5881	5.1810	1.2161	6.3971		7.4610	1.0639
H7	3.6520	4.8729	2.2800	6.2449	1.0639	7.4610		8.5249
H8	4.8729	3.6520	6.2449	2.2800	7.4610	1.0639	8.5249

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)=FULL/TZVP

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)=FULL/TZVP

States and conformations

All results from a given calculation for C₆H₂ (hexatriyne)