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	hartrees
Energy at 0K	-983.839808
Energy at 298.15K	-983.838629
Nuclear repulsion energy	150.474599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2863	2338	0.00
2	Σ_g	519	424	0.00
3	Σ_u	1099	897	14.19
4	Π_g	500	408	0.00
4	Π_g	500	408	0.00
5	Π_u	205	167	1.75
5	Π_u	205	167	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.586
C2	0.000	0.000	-0.586
Cl3	0.000	0.000	2.291
Cl4	0.000	0.000	-2.291

	C1	C2	Cl3	Cl4
C1		1.1720	1.7049	2.8769
C2	1.1720		2.8769	1.7049
Cl3	1.7049	2.8769		4.5818
Cl4	2.8769	1.7049	4.5818

Number	Element	Mulliken
1	C	0.005
2	C	0.005
3	Cl	-0.005
4	Cl	-0.005

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: HF/STO-3G

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>	203.822
(<r²>)^1/2	14.277

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)