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	hartrees
Energy at 0K	-77.115274
Energy at 298.15K	-77.115266
HF Energy	-76.822898
Nuclear repulsion energy	24.310516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3506	3377
2	Σ_g	1988	1915
3	Σ_u	3414	3289
4	Π_g	531	511
4	Π_g	531	511
5	Π_u	737	710
5	Π_u	737	710

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.614
C2	0.000	0.000	-0.614
H3	0.000	0.000	1.692
H4	0.000	0.000	-1.692

	C1	C2	H3	H4
C1		1.2279	1.0783	2.3062
C2	1.2279		2.3062	1.0783
H3	1.0783	2.3062		3.3846
H4	2.3062	1.0783	3.3846

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)