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	hartrees
Energy at 0K	-996.523422
Energy at 298.15K	-996.522016
HF Energy	-996.523422
Nuclear repulsion energy	154.001047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2323	2242	0.00
2	Σ_g	482	465	0.00
3	Σ_u	1010	974	60.27
4	Π_g	332	320	0.00
5	Π_g	332	320	0.00
6	Π_u	184	177	1.35
7	Π_u	184	177	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.603
C2	0.000	0.000	-0.603
Cl3	0.000	0.000	2.241
Cl4	0.000	0.000	-2.241

	C1	C2	Cl3	Cl4
C1		1.2055	1.6383	2.8437
C2	1.2055		2.8437	1.6383
Cl3	1.6383	2.8437		4.4820
Cl4	2.8437	1.6383	4.4820

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: TPSSh/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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All results from a given calculation for C2Cl2 (dichloroacetylene)

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

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)