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	hartrees
Energy at 0K	-77.076163
Energy at 298.15K	-77.076334
HF Energy	-76.824866
Nuclear repulsion energy	24.548262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3576	3304	0.00
2	Σ_g	2099	1940	0.00
3	Σ_u	3475	3211	93.02
4	Π_g	645	596	0.00
4	Π_g	645	596	0.00
5	Π_u	790	730	81.38
5	Π_u	790	730	81.38

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		1.2134	1.0738	2.2871
C2	1.2134		2.2871	1.0738
H3	1.0738	2.2871		3.3609
H4	2.2871	1.0738	3.3609

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)