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	hartrees
Energy at 0K	-77.118887
Energy at 298.15K	-77.118673
HF Energy	-76.819733
Nuclear repulsion energy	24.576255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3560	3560
2	Σ_g	2023	2023
3	Σ_u	3464	3464
4	Π_g	411	411
4	Π_g	411	411
5	Π_u	736	736
5	Π_u	736	736

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.608
C2	0.000	0.000	-0.608
H3	0.000	0.000	1.672
H4	0.000	0.000	-1.672

	C1	C2	H3	H4
C1		1.2163	1.0639	2.2803
C2	1.2163		2.2803	1.0639
H3	1.0639	2.2803		3.3442
H4	2.2803	1.0639	3.3442

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)