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	hartrees
Energy at 0K	-996.100966
Energy at 298.15K
HF Energy	-995.928872
Nuclear repulsion energy	152.971919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2322	2204	0.00
2	Σ_g	480	455	0.00
3	Σ_u	1004	953	53.13
4	Π_g	224	213	0.00
5	Π_g	224	213	0.00
6	Π_u	173	164	0.88
7	Π_u	173	164	0.88

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	2.253
Cl4	0.000	0.000	-2.253

	C1	C2	Cl3	Cl4
C1		1.2093	1.6482	2.8575
C2	1.2093		2.8575	1.6482
Cl3	1.6482	2.8575		4.5057
Cl4	2.8575	1.6482	4.5057

Number	Element	Mulliken
1	C	-0.121
2	C	-0.121
3	Cl	0.121
4	Cl	0.121

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: B2PLYP/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>	198.369
(<r²>)^1/2	14.084

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)