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	hartrees
Energy at 0K	-76.980900
Energy at 298.15K	-76.981058
HF Energy	-76.796545
Nuclear repulsion energy	24.310587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3526	3526	0.00
2	Σ_g	2018	2018	0.00
3	Σ_u	3428	3428	49.18
4	Π_g	676	676	0.00
4	Π_g	676	676	0.00
5	Π_u	745	745	121.28
5	Π_u	745	745	121.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.616
C2	0.000	0.000	-0.616
H3	0.000	0.000	1.687
H4	0.000	0.000	-1.687

	C1	C2	H3	H4
C1		1.2314	1.0715	2.3030
C2	1.2314		2.3030	1.0715
H3	1.0715	2.3030		3.3745
H4	2.3030	1.0715	3.3745

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP3/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)