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	hartrees
Energy at 0K	-1071.775655
Energy at 298.15K
HF Energy	-1070.818169
Nuclear repulsion energy	267.583992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3133	2955	5.23
2	A	3009	2838	37.47
3	A	1884	1777	121.40
4	A	1425	1344	13.92
5	A	1306	1232	8.43
6	A	1257	1185	12.86
7	A	1061	1001	14.47
8	A	967	912	5.67
9	A	866	817	63.37
10	A	673	634	29.82
11	A	636	600	25.97
12	A	355	335	1.04
13	A	285	269	3.32
14	A	224	212	3.31
15	A	87	82	10.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.099	-0.026	0.516
C2	-0.733	-1.267	0.193
H3	0.223	0.048	1.595
Cl4	1.717	-0.283	-0.168
Cl5	-0.641	1.452	-0.057
O6	-1.810	-1.243	-0.316
H7	-0.234	-2.205	0.488

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5290	1.0883	1.7750	1.7497	2.4120	2.2045
C2	1.5290		2.1473	2.6651	2.7325	1.1911	1.1027
H3	1.0883	2.1473		2.3340	2.3336	3.0745	2.5519
Cl4	1.7750	2.6651	2.3340		2.9296	3.6581	2.8160
Cl5	1.7497	2.7325	2.3336	2.9296		2.9491	3.7200
O6	2.4120	1.1911	3.0745	3.6581	2.9491		2.0139
H7	2.2045	1.1027	2.5519	2.8160	3.7200	2.0139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.463	C1	C2	H7	112.782
C2	C1	H3	109.086	C2	C1	Cl4	107.303
C2	C1	Cl5	112.722	H3	C1	Cl4	106.732
H3	C1	Cl5	108.361	Cl4	C1	Cl5	112.431
O6	C2	H7	122.755

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

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

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)