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	hartrees
Energy at 0K	-1071.586091
Energy at 298.15K
HF Energy	-1070.781569
Nuclear repulsion energy	265.271246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3104	2988
2	A	2958	2848
3	A	1806	1739
4	A	1413	1361
5	A	1300	1252
6	A	1268	1221
7	A	1036	997
8	A	945	910
9	A	833	802
10	A	654	629
11	A	625	602
12	A	350	337
13	A	284	274
14	A	226	217
15	A	82	79

Atom	x (Å)	y (Å)	z (Å)
C1	0.103	-0.021	0.521
C2	-0.722	-1.281	0.199
H3	0.230	0.058	1.606
Cl4	1.737	-0.268	-0.170
Cl5	-0.669	1.455	-0.058
O6	-1.808	-1.276	-0.321
H7	-0.211	-2.218	0.505

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5396	1.0947	1.7918	1.7639	2.4359	2.2184
C2	1.5396		2.1631	2.6848	2.7488	1.2041	1.1103
H3	1.0947	2.1631		2.3520	2.3507	3.1055	2.5661
Cl4	1.7918	2.6848	2.3520		2.9618	3.6888	2.8371
Cl5	1.7639	2.7488	2.3507	2.9618		2.9709	3.7440
O6	2.4359	1.2041	3.1055	3.6888	2.9709		2.0301
H7	2.2184	1.1103	2.5661	2.8371	3.7440	2.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.756	C1	C2	H7	112.681
C2	C1	H3	109.237	C2	C1	Cl4	107.156
C2	C1	Cl5	112.449	H3	C1	Cl4	106.639
H3	C1	Cl5	108.355	Cl4	C1	Cl5	112.806
O6	C2	H7	122.561

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: QCISD(T)/6-311G*

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: QCISD(T)/6-311G*

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)