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	hartrees
Energy at 0K	-76.602958
Energy at 298.15K	-76.602854
HF Energy	-76.393051
Nuclear repulsion energy	24.476424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3465	3465
2	Σ_g	1988	1988
3	Σ_u	3362	3362
4	Π_g	483	483
4	Π_g	483	483
5	Π_u	718	718
5	Π_u	718	718

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.610
C2	0.000	0.000	-0.610
H3	0.000	0.000	1.680
H4	0.000	0.000	-1.680

	C1	C2	H3	H4
C1		1.2206	1.0696	2.2903
C2	1.2206		2.2903	1.0696
H3	1.0696	2.2903		3.3599
H4	2.2903	1.0696	3.3599

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)