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	hartrees
Energy at 0K	-12.181941
Energy at 298.15K	-12.182159
HF Energy	-12.012227
Nuclear repulsion energy	12.623491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3518	3251	0.00
2	Σ_g	2011	1858	0.00
3	Σ_u	3399	3141	48.70
4	Π_g	687	635	0.00
4	Π_g	687	635	0.00
5	Π_u	810	749	128.73
5	Π_u	810	749	128.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.629
C2	0.000	0.000	-0.629
H3	0.000	0.000	1.707
H4	0.000	0.000	-1.707

	C1	C2	H3	H4
C1		1.2588	1.0771	2.3360
C2	1.2588		2.3360	1.0771
H3	1.0771	2.3360		3.4131
H4	2.3360	1.0771	3.4131

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/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: CID/CEP-31G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)