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	hartrees
Energy at 0K	-996.080376
Energy at 298.15K	-996.078664
Nuclear repulsion energy	153.201948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2267	2246	0.00
2	Σ_g	474	470	0.00
3	Σ_u	991	982	75.59
4	Π_g	228	226	0.00
4	Π_g	228	226	0.00
5	Π_u	171	169	3.02
5	Π_u	171	169	3.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
Cl3	0.000	0.000	2.249
Cl4	0.000	0.000	-2.249

	C1	C2	Cl3	Cl4
C1		1.2126	1.6432	2.8558
C2	1.2126		2.8558	1.6432
Cl3	1.6432	2.8558		4.4989
Cl4	2.8558	1.6432	4.4989

Number	Element	Mulliken
1	C	0.026
2	C	0.026
3	Cl	-0.026
4	Cl	-0.026

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: PBEPBE/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>	197.984
(<r²>)^1/2	14.071

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)