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	hartrees
Energy at 0K	-1071.778220
Energy at 298.15K
HF Energy	-1070.818393
Nuclear repulsion energy	267.653732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3157	5.33
2	A	3027	3027	35.41
3	A	1904	1904	128.69
4	A	1429	1429	14.63
5	A	1306	1306	8.61
6	A	1255	1255	12.47
7	A	1063	1063	14.32
8	A	967	967	5.68
9	A	861	861	66.30
10	A	672	672	30.41
11	A	637	637	28.36
12	A	354	354	1.16
13	A	285	285	3.44
14	A	225	225	3.35
15	A	87	87	10.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.098	-0.025	0.518
C2	-0.723	-1.272	0.196
H3	0.224	0.053	1.594
Cl4	1.718	-0.272	-0.168
Cl5	-0.653	1.448	-0.057
O6	-1.795	-1.256	-0.318
H7	-0.219	-2.204	0.495

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5281	1.0864	1.7769	1.7501	2.4081	2.2026
C2	1.5281		2.1470	2.6636	2.7327	1.1886	1.1012
H3	1.0864	2.1470		2.3330	2.3327	3.0738	2.5492
Cl4	1.7769	2.6636	2.3330		2.9321	3.6516	2.8151
Cl5	1.7501	2.7327	2.3327	2.9321		2.9466	3.7189
O6	2.4081	1.1886	3.0738	3.6516	2.9466		2.0111
H7	2.2026	1.1012	2.5492	2.8151	3.7189	2.0111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.377	C1	C2	H7	112.790
C2	C1	H3	109.248	C2	C1	Cl4	107.159
C2	C1	Cl5	112.762	H3	C1	Cl4	106.633
H3	C1	Cl5	108.368	Cl4	C1	Cl5	112.462
O6	C2	H7	122.833

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)