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	hartrees
Energy at 0K	-77.295214
Energy at 298.15K	-77.295092
HF Energy	-77.295214
Nuclear repulsion energy	24.535791

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	3458	3431	0.00	70.41	0.21	0.35
2	Σ_g	2019	2004	0.00	49.39	0.26	0.41
3	Σ_u	3363	3337	75.55	0.00	0.00	0.00
4	Π_g	460	457	0.00	0.59	0.75	0.86
4	Π_g	460	457	0.00	0.59	0.75	0.86
5	Π_u	742	736	73.13	0.00	0.00	0.00
5	Π_u	742	736	73.13	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	1.679
H4	0.000	0.000	-1.679

	C1	C2	H3	H4
C1		1.2154	1.0715	2.2868
C2	1.2154		2.2868	1.0715
H3	1.0715	2.2868		3.3583
H4	2.2868	1.0715	3.3583

Number	Element	Mulliken
1	C	-0.117
2	C	-0.117
3	H	0.117
4	H	0.117

All results from a given calculation for C₂H₂ (Acetylene)

using model chemistry: BLYP/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>	16.920
(<r²>)^1/2	4.113

All results from a given calculation for C2H2 (Acetylene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₂H₂ (Acetylene)