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	hartrees
Energy at 0K	-12.292122
Energy at 298.15K	-12.292265
HF Energy	-12.039760
Nuclear repulsion energy	12.682839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3511	3311	0.00
2	Σ_g	2016	1901	0.00
3	Σ_u	3393	3200	65.84
4	Π_g	616	581	0.00
4	Π_g	616	581	0.00
5	Π_u	815	769	120.71
5	Π_u	815	769	120.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.624
C2	0.000	0.000	-0.624
H3	0.000	0.000	1.703
H4	0.000	0.000	-1.703

	C1	C2	H3	H4
C1		1.2482	1.0787	2.3268
C2	1.2482		2.3268	1.0787
H3	1.0787	2.3268		3.4055
H4	2.3268	1.0787	3.4055

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCD/CEP-31G*

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: CCD/CEP-31G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)