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	hartrees
Energy at 0K	-76.979698
Energy at 298.15K	-76.979785
HF Energy	-76.794804
Nuclear repulsion energy	24.120402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	3515	3393	0.00	71.12	0.18	0.31
2	Σ_g	1886	1821	0.00	37.75	0.25	0.40
3	Σ_u	3427	3308	57.84	0.00	0.00	0.00
4	Π_g	621	600	0.00	9.13	0.75	0.86
4	Π_g	621	600	0.00	9.13	0.75	0.86
5	Π_u	728	703	120.94	0.00	0.00	0.00
5	Π_u	728	703	120.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.623
C2	0.000	0.000	-0.623
H3	0.000	0.000	1.694
H4	0.000	0.000	-1.694

	C1	C2	H3	H4
C1		1.2452	1.0718	2.3170
C2	1.2452		2.3170	1.0718
H3	1.0718	2.3170		3.3888
H4	2.3170	1.0718	3.3888

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)