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	hartrees
Energy at 0K	-12.274277
Energy at 298.15K	-12.274478
HF Energy	-12.040644
Nuclear repulsion energy	12.745762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3567	3296	0.00
2	Σ_g	2075	1918	0.00
3	Σ_u	3445	3183	73.46
4	Π_g	653	603	0.00
4	Π_g	653	603	0.00
5	Π_u	844	780	122.49
5	Π_u	844	780	122.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.621
C2	0.000	0.000	-0.621
H3	0.000	0.000	1.695
H4	0.000	0.000	-1.695

	C1	C2	H3	H4
C1		1.2411	1.0746	2.3157
C2	1.2411		2.3157	1.0746
H3	1.0746	2.3157		3.3903
H4	2.3157	1.0746	3.3903

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)