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	hartrees
Energy at 0K	-77.291064
Energy at 298.15K	-77.291242
HF Energy	-77.291064
Nuclear repulsion energy	24.753256

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	3556	3380	0.00	68.43	0.22	0.36
2	Σ_g	2121	2016	0.00	53.67	0.26	0.41
3	Σ_u	3451	3280	93.08	0.00	0.00	0.00
4	Π_g	653	621	0.00	0.87	0.75	0.86
4	Π_g	653	621	0.00	0.87	0.75	0.86
5	Π_u	797	757	84.58	0.00	0.00	0.00
5	Π_u	797	757	84.58	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	1.668
H4	0.000	0.000	-1.668

	C1	C2	H3	H4
C1		1.2025	1.0666	2.2691
C2	1.2025		2.2691	1.0666
H3	1.0666	2.2691		3.3357
H4	2.2691	1.0666	3.3357

Number	Element	Mulliken
1	C	-0.185
2	C	-0.185
3	H	0.185
4	H	0.185

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: M06-2X/6-31G**

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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<r²>	16.745
(<r²>)^1/2	4.092

All results from a given calculation for C2H2 (Acetylene)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)