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	hartrees
Energy at 0K	-996.610267
Energy at 298.15K	-996.608935
Nuclear repulsion energy	153.757869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2319	2243	0.00
2	Σ_g	476	461	0.00
3	Σ_u	991	959	59.40
4	Π_g	371	359	0.00
4	Π_g	371	359	0.00
5	Π_u	180	174	2.08
5	Π_u	180	174	2.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.599
C2	0.000	0.000	-0.599
Cl3	0.000	0.000	2.241
Cl4	0.000	0.000	-2.241

	C1	C2	Cl3	Cl4
C1		1.1984	1.6421	2.8405
C2	1.1984		2.8405	1.6421
Cl3	1.6421	2.8405		4.4826
Cl4	2.8405	1.6421	4.4826

Number	Element	Mulliken
1	C	0.097
2	C	0.097
3	Cl	-0.097
4	Cl	-0.097

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: B3LYP/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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<r²>	196.681
(<r²>)^1/2	14.024

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)