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	hartrees
Energy at 0K	-996.079554
Energy at 298.15K	-996.078073
HF Energy	-996.079554
Nuclear repulsion energy	153.842659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2376	2258	0.00
2	Σ_g	493	468	0.00
3	Σ_u	1029	978	62.49
4	Π_g	304	289	0.00
4	Π_g	304	289	0.00
5	Π_u	181	172	1.13
5	Π_u	181	172	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.602
C2	0.000	0.000	-0.602
Cl3	0.000	0.000	2.240
Cl4	0.000	0.000	-2.240

	C1	C2	Cl3	Cl4
C1		1.2047	1.6377	2.8424
C2	1.2047		2.8424	1.6377
Cl3	1.6377	2.8424		4.4802
Cl4	2.8424	1.6377	4.4802

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: PBE1PBE/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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All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)