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	hartrees
Energy at 0K	-104.984328
Energy at 298.15K	-104.983231
Nuclear repulsion energy	63.471527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2555	2299	0.00
2	Σ_g	466	419	0.00
3	Σ_u	975	878	20.32
4	Π_g	495	446	0.00
4	Π_g	495	446	0.00
5	Π_u	194	174	0.57
5	Π_u	194	174	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.593
C2	0.000	0.000	-0.593
Cl3	0.000	0.000	2.284
Cl4	0.000	0.000	-2.284

	C1	C2	Cl3	Cl4
C1		1.1868	1.6905	2.8773
C2	1.1868		2.8773	1.6905
Cl3	1.6905	2.8773		4.5678
Cl4	2.8773	1.6905	4.5678

Number	Element	Mulliken
1	C	-0.037
2	C	-0.037
3	Cl	0.037
4	Cl	0.037

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: HF/LANL2DZ

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>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)