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	hartrees
Energy at 0K	-996.577389
Energy at 298.15K	-996.575937
HF Energy	-996.577389
Nuclear repulsion energy	153.066555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2331	2250	0.00
2	Σ_g	471	454	0.00
3	Σ_u	976	942	63.52
4	Π_g	327	316	0.00
4	Π_g	327	316	0.00
5	Π_u	175	169	2.61
5	Π_u	175	169	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.600
C2	0.000	0.000	-0.600
Cl3	0.000	0.000	2.251
Cl4	0.000	0.000	-2.251

	C1	C2	Cl3	Cl4
C1		1.1991	1.6519	2.8510
C2	1.1991		2.8510	1.6519
Cl3	1.6519	2.8510		4.5029
Cl4	2.8510	1.6519	4.5029

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: B3LYP/TZVP

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: B3LYP/TZVP

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)