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	hartrees
Energy at 0K	-1071.784590
Energy at 298.15K
HF Energy	-1070.822446
Nuclear repulsion energy	267.472174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3178	4.76
2	A	3036	3036	39.56
3	A	1899	1899	125.30
4	A	1433	1433	14.41
5	A	1301	1301	9.50
6	A	1249	1249	12.76
7	A	1065	1065	13.39
8	A	966	966	5.88
9	A	854	854	66.09
10	A	667	667	30.87
11	A	637	637	31.15
12	A	351	351	1.22
13	A	280	280	3.58
14	A	224	224	3.08
15	A	88	88	10.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.098	-0.021	0.520
C2	-0.707	-1.278	0.199
H3	0.225	0.060	1.593
Cl4	1.722	-0.257	-0.169
Cl5	-0.673	1.443	-0.058
O6	-1.778	-1.278	-0.320
H7	-0.191	-2.201	0.500

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5261	1.0836	1.7801	1.7523	2.4089	2.1984
C2	1.5261		2.1454	2.6605	2.7326	1.1901	1.0991
H3	1.0836	2.1454		2.3332	2.3326	3.0760	2.5455
Cl4	1.7801	2.6605	2.3332		2.9390	3.6496	2.8084
Cl5	1.7523	2.7326	2.3326	2.9390		2.9482	3.7169
O6	2.4089	1.1901	3.0760	3.6496	2.9482		2.0102
H7	2.1984	1.0991	2.5455	2.8084	3.7169	2.0102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.502	C1	C2	H7	112.724
C2	C1	H3	109.418	C2	C1	Cl4	106.914
C2	C1	Cl5	112.743	H3	C1	Cl4	106.585
H3	C1	Cl5	108.365	Cl4	C1	Cl5	112.609
O6	C2	H7	122.775

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: MP3/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: MP3/Def2TZVPP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)