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	hartrees
Energy at 0K	-77.144437
Energy at 298.15K	-77.144647
HF Energy	-76.848990
Nuclear repulsion energy	24.932202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3580	3580	0.00
2	Σ_g	2107	2107	0.00
3	Σ_u	3475	3475	91.37
4	Π_g	683	683	0.00
4	Π_g	683	683	0.00
5	Π_u	795	795	96.17
5	Π_u	795	795	96.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.597
C2	0.000	0.000	-0.597
H3	0.000	0.000	1.656
H4	0.000	0.000	-1.656

	C1	C2	H3	H4
C1		1.1940	1.0587	2.2527
C2	1.1940		2.2527	1.0587
H3	1.0587	2.2527		3.3114
H4	2.2527	1.0587	3.3114

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/6-311+G(3df,2pd)

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: CID/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)