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	hartrees
Energy at 0K	-77.131777
Energy at 298.15K	-77.131403
HF Energy	-76.847938
Nuclear repulsion energy	24.750562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3550	3388	0.00
2	Σ_g	2053	1960	0.00
3	Σ_u	3454	3296	80.08
4	Π_g	327	313	0.00
4	Π_g	327	313	0.00
5	Π_u	742	708	100.90
5	Π_u	742	708	100.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.602
C2	0.000	0.000	-0.602
H3	0.000	0.000	1.665
H4	0.000	0.000	-1.665

	C1	C2	H3	H4
C1		1.2045	1.0628	2.2673
C2	1.2045		2.2673	1.0628
H3	1.0628	2.2673		3.3301
H4	2.2673	1.0628	3.3301

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD/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 C2H2 (Acetylene)

using model chemistry: CCSD/TZVP

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)