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	hartrees
Energy at 0K	-12.210057
Energy at 298.15K	-12.209978
HF Energy	-12.029432
Nuclear repulsion energy	12.849332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3471	3207	0.00
2	Σ_g	1989	1838	0.00
3	Σ_u	3363	3107	48.16
4	Π_g	466	431	0.00
4	Π_g	466	431	0.00
5	Π_u	765	707	124.22
5	Π_u	765	707	124.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.614
C2	0.000	0.000	-0.614
H3	0.000	0.000	1.685
H4	0.000	0.000	-1.685

	C1	C2	H3	H4
C1		1.2274	1.0711	2.2985
C2	1.2274		2.2985	1.0711
H3	1.0711	2.2985		3.3697
H4	2.2985	1.0711	3.3697

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CID/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: CID/CEP-121G

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)