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	hartrees
Energy at 0K	-994.510077
Energy at 298.15K	-994.509162
Nuclear repulsion energy	150.237131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2563	2315	0.00
2	Σ_g	470	424	0.00
3	Σ_u	977	882	8.59
4	Π_g	607	548	0.00
4	Π_g	607	548	0.00
5	Π_u	201	181	0.55
5	Π_u	201	181	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.592
C2	0.000	0.000	-0.592
Cl3	0.000	0.000	2.294
Cl4	0.000	0.000	-2.294

	C1	C2	Cl3	Cl4
C1		1.1831	1.7027	2.8858
C2	1.1831		2.8858	1.7027
Cl3	1.7027	2.8858		4.5886
Cl4	2.8858	1.7027	4.5886

Number	Element	Mulliken
1	C	-0.402
2	C	-0.402
3	Cl	0.402
4	Cl	0.402

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: HF/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)