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	hartrees
Energy at 0K	-77.165787
Energy at 298.15K	-77.166020
HF Energy	-76.855509
Nuclear repulsion energy	24.970491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3585	3585	0.00
2	Σ_g	2117	2117	0.00
3	Σ_u	3482	3482	90.96
4	Π_g	701	701	0.00
4	Π_g	701	701	0.00
5	Π_u	798	798	94.71
5	Π_u	798	798	94.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.596
C2	0.000	0.000	-0.596
H3	0.000	0.000	1.654
H4	0.000	0.000	-1.654

	C1	C2	H3	H4
C1		1.1917	1.0579	2.2497
C2	1.1917		2.2497	1.0579
H3	1.0579	2.2497		3.3076
H4	2.2497	1.0579	3.3076

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/aug-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: CID/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)