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	hartrees
Energy at 0K	-77.257059
Energy at 298.15K	-77.257157
HF Energy	-76.849513
Nuclear repulsion energy	24.711161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3537	3364	0.00
2	Σ_g	1985	1888	0.00
3	Σ_u	3450	3282	96.30
4	Π_g	596	567	0.00
4	Π_g	596	567	0.00
5	Π_u	754	717	89.48
5	Π_u	754	717	89.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.604
C2	0.000	0.000	-0.604
H3	0.000	0.000	1.665
H4	0.000	0.000	-1.665

	C1	C2	H3	H4
C1		1.2081	1.0610	2.2691
C2	1.2081		2.2691	1.0610
H3	1.0610	2.2691		3.3302
H4	2.2691	1.0610	3.3302

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2=FULL/cc-pCVTZ

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=FULL/cc-pCVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)