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	hartrees
Energy at 0K	-76.023042
Energy at 298.15K	-76.023188
HF Energy	-75.850113
Nuclear repulsion energy	24.466036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3703	3703	0.00
2	Σ_g	2162	2162	0.00
3	Σ_u	3578	3578	129.63
4	Π_g	730	730	0.00
4	Π_g	730	730	0.00
5	Π_u	823	823	19.37
5	Π_u	823	823	19.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
H3	0.000	0.000	1.694
H4	0.000	0.000	-1.694

	C1	C2	H3	H4
C1		1.2126	1.0877	2.3002
C2	1.2126		2.3002	1.0877
H3	1.0877	2.3002		3.3879
H4	2.3002	1.0877	3.3879

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCD/STO-3G

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: CCD/STO-3G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)