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	hartrees
Energy at 0K	-77.168710
Energy at 298.15K	-77.168868
HF Energy	-76.849734
Nuclear repulsion energy	24.839545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3566	3369	0.00
2	Σ_g	2089	1974	0.00
3	Σ_u	3458	3267	89.69
4	Π_g	638	602	0.00
4	Π_g	638	602	0.00
5	Π_u	778	735	93.98
5	Π_u	778	735	93.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.600
C2	0.000	0.000	-0.600
H3	0.000	0.000	1.660
H4	0.000	0.000	-1.660

	C1	C2	H3	H4
C1		1.1995	1.0604	2.2599
C2	1.1995		2.2599	1.0604
H3	1.0604	2.2599		3.3203
H4	2.2599	1.0604	3.3203

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP3/cc-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: MP3/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)