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	hartrees
Energy at 0K	-996.457697
Energy at 298.15K	-996.456133
Nuclear repulsion energy	152.738904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2255	2242	0.00
2	Σ_g	462	459	0.00
3	Σ_u	965	960	56.39
4	Π_g	288	286	0.00
4	Π_g	288	286	0.00
5	Π_u	175	174	1.32
5	Π_u	175	174	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.607
C2	0.000	0.000	-0.607
Cl3	0.000	0.000	2.256
Cl4	0.000	0.000	-2.256

	C1	C2	Cl3	Cl4
C1		1.2143	1.6491	2.8634
C2	1.2143		2.8634	1.6491
Cl3	1.6491	2.8634		4.5126
Cl4	2.8634	1.6491	4.5126

Number	Element	Mulliken
1	C	0.035
2	C	0.035
3	Cl	-0.035
4	Cl	-0.035

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: BLYP/6-31G(2df,p)

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>	198.629
(<r²>)^1/2	14.094

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)