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	hartrees
Energy at 0K	-77.084826
Energy at 298.15K	-77.084812
HF Energy	-76.827500
Nuclear repulsion energy	24.541662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3559	3559	0.00
2	Σ_g	2084	2084	0.00
3	Σ_u	3456	3456	87.70
4	Π_g	517	517	0.00
4	Π_g	517	517	0.00
5	Π_u	749	749	98.07
5	Π_u	749	749	98.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
C2	0.000	0.000	-0.607
H3	0.000	0.000	1.680
H4	0.000	0.000	-1.680

	C1	C2	H3	H4
C1		1.2143	1.0729	2.2871
C2	1.2143		2.2871	1.0729
H3	1.0729	2.2871		3.3600
H4	2.2871	1.0729	3.3600

All results from a given calculation for C₂H₂ (Acetylene)

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

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)