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	hartrees
Energy at 0K	-990.063633
Energy at 298.15K	-990.062518
HF Energy	-989.782394
Nuclear repulsion energy	147.162060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2293	2189	0.00
2	Σ_g	413	394	0.00
3	Σ_u	869	829	13.59
4	Π_g	540	516	0.00
4	Π_g	540	516	0.00
5	Π_u	186	178	0.75
5	Π_u	186	178	0.75

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	2.342
Cl4	0.000	0.000	-2.342

	C1	C2	Cl3	Cl4
C1		1.2116	1.7364	2.9480
C2	1.2116		2.9480	1.7364
Cl3	1.7364	2.9480		4.6843
Cl4	2.9480	1.7364	4.6843

Number	Element	Mulliken
1	C	-0.355
2	C	-0.355
3	Cl	0.355
4	Cl	0.355

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: MP2/3-21G

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>	213.425
(<r²>)^1/2	14.609

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)