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	hartrees
Energy at 0K	-76.999231
Energy at 298.15K	-76.999265
HF Energy	-76.794937
Nuclear repulsion energy	24.121612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3456	3456
2	Σ_g	1913	1913
3	Σ_u	3363	3363
4	Π_g	599	599
4	Π_g	599	599
5	Π_u	696	696
5	Π_u	696	696

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.621
C2	0.000	0.000	-0.621
H3	0.000	0.000	1.698
H4	0.000	0.000	-1.698

	C1	C2	H3	H4
C1		1.2427	1.0763	2.3190
C2	1.2427		2.3190	1.0763
H3	1.0763	2.3190		3.3953
H4	2.3190	1.0763	3.3953

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/SDD

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)