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	hartrees
Energy at 0K	-12.306065
Energy at 298.15K	-12.306110
HF Energy	-12.038619
Nuclear repulsion energy	12.623863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	3484	3484
2	Σ_g	1958	1958
3	Σ_u	3375	3375
4	Π_g	553	553
4	Π_g	553	553
5	Π_u	786	786
5	Π_u	786	786

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.628
C2	0.000	0.000	-0.628
H3	0.000	0.000	1.708
H4	0.000	0.000	-1.708

	C1	C2	H3	H4
C1		1.2560	1.0800	2.3360
C2	1.2560		2.3360	1.0800
H3	1.0800	2.3360		3.4160
H4	2.3360	1.0800	3.4160

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/CEP-31G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)