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	hartrees
Energy at 0K	-77.187648
Energy at 298.15K	-77.187712
HF Energy	-76.848569
Nuclear repulsion energy	24.672990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3512	3424
2	Σ_g	2001	1951
3	Σ_u	3411	3325
4	Π_g	577	563
4	Π_g	577	562
5	Π_u	746	727
5	Π_u	746	727

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		1.2097	1.0636	2.2733
C2	1.2097		2.2733	1.0636
H3	1.0636	2.2733		3.3369
H4	2.2733	1.0636	3.3369

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)