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	hartrees
Energy at 0K	-105.239410
Energy at 298.15K	-105.237795
HF Energy	-104.977883
Nuclear repulsion energy	61.705462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2208	2127	0.00
2	Σ_g	416	401	0.00
3	Σ_u	884	851	20.27
4	Π_g	315	304	0.00
4	Π_g	315	304	0.00
5	Π_u	160	154	0.96
5	Π_u	160	154	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.618
C2	0.000	0.000	-0.618
Cl3	0.000	0.000	2.344
Cl4	0.000	0.000	-2.344

	C1	C2	Cl3	Cl4
C1		1.2363	1.7257	2.9620
C2	1.2363		2.9620	1.7257
Cl3	1.7257	2.9620		4.6877
Cl4	2.9620	1.7257	4.6877

Number	Element	Mulliken
1	C	-0.053
2	C	-0.053
3	Cl	0.053
4	Cl	0.053

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)