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	hartrees
Energy at 0K	-77.100037
Energy at 298.15K	-77.099992
HF Energy	-76.825970
Nuclear repulsion energy	24.634496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3574	3368	0.00
2	Σ_g	2065	1946	0.00
3	Σ_u	3477	3277	77.96
4	Π_g	500	472	0.00
4	Π_g	500	472	0.00
5	Π_u	754	710	109.83
5	Π_u	754	710	109.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
H3	0.000	0.000	1.670
H4	0.000	0.000	-1.670

	C1	C2	H3	H4
C1		1.2120	1.0641	2.2761
C2	1.2120		2.2761	1.0641
H3	1.0641	2.2761		3.3402
H4	2.2761	1.0641	3.3402

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)