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	hartrees
Energy at 0K	-76.976198
Energy at 298.15K	-76.976382
HF Energy	-76.797253
Nuclear repulsion energy	24.359397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3535	3267	0.00
2	Σ_g	2017	1864	0.00
3	Σ_u	3434	3173	49.86
4	Π_g	692	640	0.00
4	Π_g	692	640	0.00
5	Π_u	757	700	119.56
5	Π_u	757	700	119.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.614
C2	0.000	0.000	-0.614
H3	0.000	0.000	1.685
H4	0.000	0.000	-1.685

	C1	C2	H3	H4
C1		1.2283	1.0707	2.2990
C2	1.2283		2.2990	1.0707
H3	1.0707	2.2990		3.3697
H4	2.2990	1.0707	3.3697

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/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: CID/SDD

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)