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	hartrees
Energy at 0K	-1071.693419
Energy at 298.15K
HF Energy	-1070.798619
Nuclear repulsion energy	265.861141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3001	4.98
2	A	3023	2864	48.72
3	A	1850	1753	116.27
4	A	1452	1375	14.34
5	A	1309	1240	17.54
6	A	1279	1212	12.46
7	A	1055	1000	12.65
8	A	960	910	5.82
9	A	853	808	64.46
10	A	663	628	25.78
11	A	638	604	36.39
12	A	351	332	0.94
13	A	283	268	3.53
14	A	226	215	2.76
15	A	83	78	11.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.098	-0.021	0.523
C2	-0.692	-1.289	0.207
H3	0.222	0.063	1.599
Cl4	1.736	-0.239	-0.171
Cl5	-0.699	1.445	-0.057
O6	-1.764	-1.311	-0.329
H7	-0.174	-2.205	0.532

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5273	1.0862	1.7927	1.7667	2.4198	2.2004
C2	1.5273		2.1452	2.6727	2.7465	1.1977	1.1012
H3	1.0862	2.1452		2.3489	2.3457	3.0896	2.5369
Cl4	1.7927	2.6727	2.3489		2.9633	3.6637	2.8294
Cl5	1.7667	2.7465	2.3457	2.9633		2.9666	3.7336
O6	2.4198	1.1977	3.0896	3.6637	2.9666		2.0163
H7	2.2004	1.1012	2.5369	2.8294	3.7336	2.0163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.802	C1	C2	H7	112.665
C2	C1	H3	109.168	C2	C1	Cl4	106.956
C2	C1	Cl5	112.775	H3	C1	Cl4	106.776
H3	C1	Cl5	108.242	Cl4	C1	Cl5	112.718
O6	C2	H7	122.531

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)