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	hartrees
Energy at 0K	-996.438083
Energy at 298.15K	-996.436607
HF Energy	-996.438083
Nuclear repulsion energy	153.359556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2378	2264	0.00
2	Σ_g	481	458	0.00
3	Σ_u	999	951	65.27
4	Π_g	317	302	0.00
4	Π_g	317	302	0.00
5	Π_u	174	165	1.91
5	Π_u	174	165	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.602
C2	0.000	0.000	-0.602
Cl3	0.000	0.000	2.249
Cl4	0.000	0.000	-2.249

	C1	C2	Cl3	Cl4
C1		1.2037	1.6469	2.8506
C2	1.2037		2.8506	1.6469
Cl3	1.6469	2.8506		4.4975
Cl4	2.8506	1.6469	4.4975

Number	Element	Mulliken
1	C	-0.354
2	C	-0.354
3	Cl	0.354
4	Cl	0.354

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: wB97X-D/6-31+G**

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>	197.503
(<r²>)^1/2	14.054

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)