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	hartrees
Energy at 0K	-77.110865
Energy at 298.15K	-77.110852
HF Energy	-76.822744
Nuclear repulsion energy	24.294568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3500	3426
2	Σ_g	1986	1944
3	Σ_u	3409	3337
4	Π_g	528	517
4	Π_g	528	517
5	Π_u	735	719
5	Π_u	735	719

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.614
C2	0.000	0.000	-0.614
H3	0.000	0.000	1.693
H4	0.000	0.000	-1.693

	C1	C2	H3	H4
C1		1.2287	1.0791	2.3078
C2	1.2287		2.3078	1.0791
H3	1.0791	2.3078		3.3868
H4	2.3078	1.0791	3.3868

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)