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	hartrees
Energy at 0K	-996.547725
Energy at 298.15K	-996.546020
HF Energy	-996.547725
Nuclear repulsion energy	153.325001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2273	2241	0.00
2	Σ_g	470	463	0.00
3	Σ_u	980	966	78.49
4	Π_g	230	227	0.00
5	Π_g	230	227	0.00
6	Π_u	173	170	2.81
7	Π_u	173	170	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
Cl3	0.000	0.000	2.248
Cl4	0.000	0.000	-2.248

	C1	C2	Cl3	Cl4
C1		1.2095	1.6429	2.8524
C2	1.2095		2.8524	1.6429
Cl3	1.6429	2.8524		4.4953
Cl4	2.8524	1.6429	4.4953

Number	Element	Mulliken
1	C	0.039
2	C	0.039
3	Cl	-0.039
4	Cl	-0.039

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: B97D3/6-311G**

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>	197.575
(<r²>)^1/2	14.056

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)