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	hartrees
Energy at 0K	-995.125621
Energy at 298.15K
HF Energy	-994.594409
Nuclear repulsion energy	153.112063

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	2.252
Cl4	0.000	0.000	-2.252

	C1	C2	Cl3	Cl4
C1		1.2033	1.6503	2.8537
C2	1.2033		2.8537	1.6503
Cl3	1.6503	2.8537		4.5040
Cl4	2.8537	1.6503	4.5040

All results from a given calculation for C₂Cl₂ (dichloroacetylene)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂Cl₂ (dichloroacetylene)