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	hartrees
Energy at 0K	-40.156997
Energy at 298.15K	-40.155761
Nuclear repulsion energy	40.427088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2518	2298	0.00
2	Σ_g	472	431	0.00
3	Σ_u	996	909	14.23
4	Π_g	402	367	0.00
4	Π_g	402	367	0.00
5	Π_u	189	173	1.02
5	Π_u	189	173	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.595
C2	0.000	0.000	-0.595
Cl3	0.000	0.000	2.297
Cl4	0.000	0.000	-2.297

	C1	C2	Cl3	Cl4
C1		1.1893	1.7019	2.8912
C2	1.1893		2.8912	1.7019
Cl3	1.7019	2.8912		4.5930
Cl4	2.8912	1.7019	4.5930

Number	Element	Mulliken
1	C	-0.257
2	C	-0.257
3	Cl	0.257
4	Cl	0.257

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: HF/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)