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	hartrees
Energy at 0K	-12.233480
Energy at 298.15K	-12.232484
HF Energy	-12.027209
Nuclear repulsion energy	12.726547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3386	3386
2	Σ_g	1883	1883
3	Σ_u	3285	3285
4	Π_g	118	118
4	Π_g	118	118
5	Π_u	705	705
5	Π_u	705	705

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.621
C2	0.000	0.000	-0.621
H3	0.000	0.000	1.698
H4	0.000	0.000	-1.698

	C1	C2	H3	H4
C1		1.2415	1.0773	2.3189
C2	1.2415		2.3189	1.0773
H3	1.0773	2.3189		3.3962
H4	2.3189	1.0773	3.3962

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)