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	hartrees
Energy at 0K	-77.199181
Energy at 298.15K	-77.199264
HF Energy	-76.849756
Nuclear repulsion energy	24.735312

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	3539	0.00	66.53	0.20	0.33
2	Σ_g	1981	1981	0.00	88.69	0.05	0.10
3	Σ_u	3402	3402	95.49	0.00	0.00	0.00
4	Π_g	601	601	0.00	2.21	0.75	0.86
4	Π_g	601	601	0.00	2.21	0.75	0.86
5	Π_u	744	744	88.79	0.00	0.00	0.00
5	Π_u	744	744	88.79	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.604
C2	0.000	0.000	-0.604
H3	0.000	0.000	1.661
H4	0.000	0.000	-1.661

	C1	C2	H3	H4
C1		1.2083	1.0571	2.2654
C2	1.2083		2.2654	1.0571
H3	1.0571	2.2654		3.3226
H4	2.2654	1.0571	3.3226

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2=FULL/daug-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: MP2=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)