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	hartrees
Energy at 0K	-77.188834
Energy at 298.15K	-77.188847
HF Energy	-76.824494
Nuclear repulsion energy	24.346563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3502	3393
2	Σ_g	1986	1924
3	Σ_u	3411	3305
4	Π_g	537	520
4	Π_g	537	520
5	Π_u	738	715
5	Π_u	737	714

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.613
C2	0.000	0.000	-0.613
H3	0.000	0.000	1.690
H4	0.000	0.000	-1.690

	C1	C2	H3	H4
C1		1.2258	1.0774	2.3032
C2	1.2258		2.3032	1.0774
H3	1.0774	2.3032		3.3806
H4	2.3032	1.0774	3.3806

All results from a given calculation for C₂H₂ (Acetylene)

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

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-pCVDZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)