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	hartrees
Energy at 0K	-77.091718
Energy at 298.15K	-77.091489
HF Energy	-76.827165
Nuclear repulsion energy	24.218798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3466	3335	0.00
2	Σ_g	1915	1842	0.00
3	Σ_u	3359	3231	111.36
4	Π_g	412	396	0.00
4	Π_g	412	396	0.00
5	Π_u	698	672	90.09
5	Π_u	698	672	90.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.617
C2	0.000	0.000	-0.617
H3	0.000	0.000	1.696
H4	0.000	0.000	-1.696

	C1	C2	H3	H4
C1		1.2344	1.0789	2.3134
C2	1.2344		2.3134	1.0789
H3	1.0789	2.3134		3.3923
H4	2.3134	1.0789	3.3923

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2/Sadlej_pVTZ

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: MP2/Sadlej_pVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)