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	hartrees
Energy at 0K	-994.658007
Energy at 298.15K	-994.656921
Nuclear repulsion energy	154.254246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2545	2301	0.00
2	Σ_g	504	456	0.00
3	Σ_u	1052	951	51.35
4	Π_g	457	414	0.00
4	Π_g	457	414	0.00
5	Π_u	200	181	1.39
5	Π_u	200	181	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	0.000	-0.588
Cl3	0.000	0.000	2.234
Cl4	0.000	0.000	-2.234

	C1	C2	Cl3	Cl4
C1		1.1769	1.6457	2.8226
C2	1.1769		2.8226	1.6457
Cl3	1.6457	2.8226		4.4683
Cl4	2.8226	1.6457	4.4683

Number	Element	Mulliken
1	C	0.076
2	C	0.076
3	Cl	-0.076
4	Cl	-0.076

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: HF/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)