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	hartrees
Energy at 0K	-77.192594
Energy at 298.15K	-77.192676
HF Energy	-76.849250
Nuclear repulsion energy	24.656999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3503	3386
2	Σ_g	1992	1926
3	Σ_u	3395	3283
4	Π_g	591	571
4	Π_g	590	571
5	Π_u	747	723
5	Π_u	747	722

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
H3	0.000	0.000	1.669
H4	0.000	0.000	-1.669

	C1	C2	H3	H4
C1		1.2107	1.0639	2.2746
C2	1.2107		2.2746	1.0639
H3	1.0639	2.2746		3.3385
H4	2.2746	1.0639	3.3385

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)