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	hartrees
Energy at 0K	-76.010727
Energy at 298.15K	-76.010930
HF Energy	-75.852104
Nuclear repulsion energy	24.611819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3778	3376	0.00
2	Σ_g	2255	2015	0.00
3	Σ_u	3648	3260	156.20
4	Π_g	769	687	0.00
4	Π_g	769	687	0.00
5	Π_u	857	766	22.27
5	Π_u	857	766	22.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.602
C2	0.000	0.000	-0.602
H3	0.000	0.000	1.685
H4	0.000	0.000	-1.685

	C1	C2	H3	H4
C1		1.2048	1.0824	2.2872
C2	1.2048		2.2872	1.0824
H3	1.0824	2.2872		3.3696
H4	2.2872	1.0824	3.3696

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP3/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: MP3/STO-3G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)