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	hartrees
Energy at 0K	-77.095166
Energy at 298.15K	-77.094933
HF Energy	-76.832665
Nuclear repulsion energy	24.570733

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	3534	3358	0.00	62.81	0.27	0.42
2	Σ_g	1965	1868	0.00	38.23	0.22	0.36
3	Σ_u	3443	3272	83.78	0.00	0.00	0.00
4	Π_g	398	378	0.00	3.18	0.75	0.86
4	Π_g	398	378	0.00	3.18	0.75	0.86
5	Π_u	741	704	101.04	0.00	0.00	0.00
5	Π_u	741	704	101.04	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.608
C2	0.000	0.000	-0.608
H3	0.000	0.000	1.673
H4	0.000	0.000	-1.673

	C1	C2	H3	H4
C1		1.2159	1.0653	2.2812
C2	1.2159		2.2812	1.0653
H3	1.0653	2.2812		3.3465
H4	2.2812	1.0653	3.3465

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)