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	hartrees
Energy at 0K	-77.190350
Energy at 298.15K	-77.190424
HF Energy	-76.849340
Nuclear repulsion energy	24.675921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3500	3381
2	Σ_g	2003	1935
3	Σ_u	3410	3294
4	Π_g	581	561
4	Π_g	581	561
5	Π_u	747	722
5	Π_u	747	721

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.604
C2	0.000	0.000	-0.604
H3	0.000	0.000	1.669
H4	0.000	0.000	-1.669

	C1	C2	H3	H4
C1		1.2088	1.0644	2.2731
C2	1.2088		2.2731	1.0644
H3	1.0644	2.2731		3.3375
H4	2.2731	1.0644	3.3375

All results from a given calculation for C₂H₂ (Acetylene)

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

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-pCVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)