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	hartrees
Energy at 0K	-77.302999
Energy at 298.15K	-77.303166
HF Energy	-77.188028
Nuclear repulsion energy	24.822153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	3539	3396	0.00	58.05	0.25	0.40
2	Σ_g	2029	1946	0.00	106.05	0.06	0.11
3	Σ_u	3425	3285	91.32	0.00	0.00	0.00
4	Π_g	654	627	0.00	3.00	0.75	0.86
4	Π_g	654	627	0.00	3.00	0.75	0.86
5	Π_u	767	735	95.01	0.00	0.00	0.00
5	Π_u	767	735	95.01	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.601
C2	0.000	0.000	-0.601
H3	0.000	0.000	1.660
H4	0.000	0.000	-1.660

	C1	C2	H3	H4
C1		1.2014	1.0590	2.2604
C2	1.2014		2.2604	1.0590
H3	1.0590	2.2604		3.3194
H4	2.2604	1.0590	3.3194

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)