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	hartrees
Energy at 0K	-995.615829
Energy at 298.15K	-995.614511
Nuclear repulsion energy	154.376616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2263	2146	0.00
2	Σ_g	487	462	0.00
3	Σ_u	1028	975	54.92
4	Π_g	364	345	0.00
4	Π_g	364	345	0.00
5	Π_u	184	174	1.75
5	Π_u	184	174	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	0.000	-0.605
Cl3	0.000	0.000	2.232
Cl4	0.000	0.000	-2.232

	C1	C2	Cl3	Cl4
C1		1.2102	1.6273	2.8375
C2	1.2102		2.8375	1.6273
Cl3	1.6273	2.8375		4.4648
Cl4	2.8375	1.6273	4.4648

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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: MP2=FULL/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)