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	hartrees
Energy at 0K	-77.117272
Energy at 298.15K	-77.116908
HF Energy	-76.847195
Nuclear repulsion energy	24.661246

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	3557	3372	0.00	66.48	0.21	0.34
2	Σ_g	1990	1887	0.00	48.86	0.15	0.26
3	Σ_u	3470	3289	93.04	0.00	0.00	0.00
4	Π_g	333	316	0.00	5.48	0.75	0.86
4	Π_g	333	316	0.00	5.48	0.75	0.86
5	Π_u	739	700	103.46	0.00	0.00	0.00
5	Π_u	739	700	103.46	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
H3	0.000	0.000	1.668
H4	0.000	0.000	-1.668

	C1	C2	H3	H4
C1		1.2111	1.0621	2.2731
C2	1.2111		2.2731	1.0621
H3	1.0621	2.2731		3.3352
H4	2.2731	1.0621	3.3352

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)