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	hartrees
Energy at 0K	-996.499042
Energy at 298.15K	-996.497494
Nuclear repulsion energy	152.969215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2347	2254	0.00
2	Σ_g	477	458	0.00
3	Σ_u	993	954	56.93
4	Π_g	288	277	0.00
4	Π_g	288	277	0.00
5	Π_u	178	171	0.97
5	Π_u	178	171	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.603
C2	0.000	0.000	-0.603
Cl3	0.000	0.000	2.253
Cl4	0.000	0.000	-2.253

	C1	C2	Cl3	Cl4
C1		1.2055	1.6501	2.8556
C2	1.2055		2.8556	1.6501
Cl3	1.6501	2.8556		4.5057
Cl4	2.8556	1.6501	4.5057

Number	Element	Mulliken
1	C	-0.107
2	C	-0.107
3	Cl	0.107
4	Cl	0.107

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: B3LYP/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>	198.152
(<r²>)^1/2	14.077

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)