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	hartrees
Energy at 0K	-12.305130
Energy at 298.15K	-12.305181
HF Energy	-12.038670
Nuclear repulsion energy	12.625837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3485	3287
2	Σ_g	1959	1848
3	Σ_u	3374	3182
4	Π_g	557	525
4	Π_g	556	525
5	Π_u	788	743
5	Π_u	788	743

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.628
C2	0.000	0.000	-0.628
H3	0.000	0.000	1.708
H4	0.000	0.000	-1.708

	C1	C2	H3	H4
C1		1.2556	1.0801	2.3357
C2	1.2556		2.3357	1.0801
H3	1.0801	2.3357		3.4158
H4	2.3357	1.0801	3.4158

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)/CEP-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 C2H2 (Acetylene)

using model chemistry: CCSD(T)/CEP-31G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)