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	hartrees
Energy at 0K	-1071.832940
Energy at 298.15K
HF Energy	-1070.821096
Nuclear repulsion energy	266.558890

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-0.016	0.528
C2	-0.699	-1.282	0.209
H3	0.235	0.072	1.604
Cl4	1.727	-0.251	-0.172
Cl5	-0.684	1.442	-0.058
O6	-1.774	-1.292	-0.328
H7	-0.179	-2.204	0.523

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5311	1.0879	1.7864	1.7564	2.4237	2.2057
C2	1.5311		2.1573	2.6632	2.7380	1.2019	1.1033
H3	1.0879	2.1573		2.3419	2.3419	3.1035	2.5537
Cl4	1.7864	2.6632	2.3419		2.9476	3.6556	2.8162
Cl5	1.7564	2.7380	2.3419	2.9476		2.9564	3.7266
O6	2.4237	1.2019	3.1035	3.6556	2.9564		2.0245
H7	2.2057	1.1033	2.5537	2.8162	3.7266	2.0245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.515	C1	C2	H7	112.692
C2	C1	H3	109.754	C2	C1	Cl4	106.537
C2	C1	Cl5	112.610	H3	C1	Cl4	106.588
H3	C1	Cl5	108.555	Cl4	C1	Cl5	112.607
O6	C2	H7	122.793

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD(T)/Def2TZVPP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

	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 CHCl2CHO (dichloroacetaldehyde)

using model chemistry: CCSD(T)/Def2TZVPP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)