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	hartrees
Energy at 0K	-995.127547
Energy at 298.15K	-995.125773
HF Energy	-994.594023
Nuclear repulsion energy	152.820613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2386	2258	0.00
2	Σ_g	482	456	0.00
3	Σ_u	1011	957	41.95
4	Π_g	209	197	0.00
4	Π_g	209	197	0.00
5	Π_u	172	162	0.63
5	Π_u	172	162	0.63

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	2.255
Cl4	0.000	0.000	-2.255

	C1	C2	Cl3	Cl4
C1		1.2050	1.6525	2.8576
C2	1.2050		2.8576	1.6525
Cl3	1.6525	2.8576		4.5101
Cl4	2.8576	1.6525	4.5101

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)