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	hartrees
Energy at 0K	-12.323593
Energy at 298.15K	-12.323364
HF Energy	-12.062395
Nuclear repulsion energy	12.951956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3528	3528	0.00
2	Σ_g	2052	2052	0.00
3	Σ_u	3431	3431	69.49
4	Π_g	384	384	0.00
4	Π_g	384	384	0.00
5	Π_u	786	786	117.68
5	Π_u	786	786	117.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
C2	0.000	0.000	-0.607
H3	0.000	0.000	1.676
H4	0.000	0.000	-1.676

	C1	C2	H3	H4
C1		1.2130	1.0693	2.2823
C2	1.2130		2.2823	1.0693
H3	1.0693	2.2823		3.3516
H4	2.2823	1.0693	3.3516

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)