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	hartrees
Energy at 0K	-76.024406
Energy at 298.15K	-76.024518
HF Energy	-75.849984
Nuclear repulsion energy	24.456082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3695	3695
2	Σ_g	2159	2159
3	Σ_u	3566	3566
4	Π_g	699	699
4	Π_g	699	699
5	Π_u	818	818
5	Π_u	818	818

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
H3	0.000	0.000	1.695
H4	0.000	0.000	-1.695

	C1	C2	H3	H4
C1		1.2128	1.0883	2.3011
C2	1.2128		2.3011	1.0883
H3	1.0883	2.3011		3.3895
H4	2.3011	1.0883	3.3895

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/STO-3G

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)=FULL/STO-3G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)