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	hartrees
Energy at 0K	-77.267446
Energy at 298.15K	-77.267540
HF Energy	-76.854283
Nuclear repulsion energy	24.764472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3511	3390
2	Σ_g	2013	1944
3	Σ_u	3417	3300
4	Π_g	597	576
4	Π_g	597	576
5	Π_u	756	730
5	Π_u	756	730

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	1.663
H4	0.000	0.000	-1.663

	C1	C2	H3	H4
C1		1.2041	1.0612	2.2653
C2	1.2041		2.2653	1.0612
H3	1.0612	2.2653		3.3265
H4	2.2653	1.0612	3.3265

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)