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	hartrees
Energy at 0K	-12.216015
Energy at 298.15K	-12.215697
HF Energy	-12.029146
Nuclear repulsion energy	12.831261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3462	3462	0.00
2	Σ_g	1984	1984	0.00
3	Σ_u	3357	3357	48.14
4	Π_g	347	347	0.00
4	Π_g	347	347	0.00
5	Π_u	752	752	127.12
5	Π_u	752	752	127.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.615
C2	0.000	0.000	-0.615
H3	0.000	0.000	1.687
H4	0.000	0.000	-1.687

	C1	C2	H3	H4
C1		1.2298	1.0717	2.3015
C2	1.2298		2.3015	1.0717
H3	1.0717	2.3015		3.3732
H4	2.3015	1.0717	3.3732

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP3/CEP-121G

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: MP3/CEP-121G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)