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	hartrees
Energy at 0K	-77.088126
Energy at 298.15K	-77.088006
HF Energy	-76.824918
Nuclear repulsion energy	24.509869

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	3575	3363	0.00	73.94	0.22	0.36
2	Σ_g	1985	1867	0.00	58.09	0.11	0.20
3	Σ_u	3489	3281	90.44	0.00	0.00	0.00
4	Π_g	459	432	0.00	7.18	0.75	0.86
4	Π_g	459	432	0.00	7.18	0.75	0.86
5	Π_u	743	698	111.96	0.00	0.00	0.00
5	Π_u	743	698	111.96	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.610
C2	0.000	0.000	-0.610
H3	0.000	0.000	1.674
H4	0.000	0.000	-1.674

	C1	C2	H3	H4
C1		1.2210	1.0637	2.2847
C2	1.2210		2.2847	1.0637
H3	1.0637	2.2847		3.3484
H4	2.2847	1.0637	3.3484

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)