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	hartrees
Energy at 0K	-996.114637
Energy at 298.15K	-996.113184
Nuclear repulsion energy	153.447373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2252	2237	0.00
2	Σ_g	475	471	0.00
3	Σ_u	991	985	65.45
4	Π_g	321	319	0.00
4	Π_g	321	319	0.00
5	Π_u	176	175	2.43
5	Π_u	176	175	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	0.000	-0.606
Cl3	0.000	0.000	2.246
Cl4	0.000	0.000	-2.246

	C1	C2	Cl3	Cl4
C1		1.2124	1.6397	2.8521
C2	1.2124		2.8521	1.6397
Cl3	1.6397	2.8521		4.4918
Cl4	2.8521	1.6397	4.4918

Number	Element	Mulliken
1	C	-0.045
2	C	-0.045
3	Cl	0.045
4	Cl	0.045

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: PBEPBE/cc-pVTZ

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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<r²>	197.149
(<r²>)^1/2	14.041

All results from a given calculation for C2Cl2 (dichloroacetylene)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)