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	hartrees
Energy at 0K	-996.601436
Energy at 298.15K	-996.600238
Nuclear repulsion energy	154.223653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2315	2239	0.00
2	Σ_g	481	465	0.00
3	Σ_u	1002	969	57.89
4	Π_g	427	413	0.00
4	Π_g	427	413	0.00
5	Π_u	187	180	2.18
5	Π_u	187	180	2.18

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	2.235
Cl4	0.000	0.000	-2.235

	C1	C2	Cl3	Cl4
C1		1.1984	1.6353	2.8338
C2	1.1984		2.8338	1.6353
Cl3	1.6353	2.8338		4.4691
Cl4	2.8338	1.6353	4.4691

Number	Element	Mulliken
1	C	0.089
2	C	0.089
3	Cl	-0.089
4	Cl	-0.089

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: B3LYP/6-311+G(3df,2p)

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>	195.656
(<r²>)^1/2	13.988

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)