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	hartrees
Energy at 0K	-77.180552
Energy at 298.15K	-77.179695
HF Energy	-76.847374
Nuclear repulsion energy	24.676469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3529	3374
2	Σ_g	2012	1923
3	Σ_u	3436	3284
4	Π_g	157	151
4	Π_g	157	150
5	Π_u	721	689
5	Π_u	721	689

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	1.668
H4	0.000	0.000	-1.668

	C1	C2	H3	H4
C1		1.2094	1.0636	2.2731
C2	1.2094		2.2731	1.0636
H3	1.0636	2.2731		3.3367
H4	2.2731	1.0636	3.3367

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)