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	hartrees
Energy at 0K	-77.115643
Energy at 298.15K	-77.115385
HF Energy	-76.825040
Nuclear repulsion energy	24.515922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3546	3546
2	Σ_g	2009	2009
3	Σ_u	3455	3455
4	Π_g	393	393
4	Π_g	393	393
5	Π_u	721	721
5	Π_u	721	721

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	1.675
H4	0.000	0.000	-1.675

	C1	C2	H3	H4
C1		1.2198	1.0656	2.2854
C2	1.2198		2.2854	1.0656
H3	1.0656	2.2854		3.3509
H4	2.2854	1.0656	3.3509

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/6-31+G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)