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	hartrees
Energy at 0K	-1071.572651
Energy at 298.15K
HF Energy	-1070.785952
Nuclear repulsion energy	266.178180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3151	6.44
2	A	3002	3002	55.94
3	A	1861	1861	116.96
4	A	1435	1435	17.67
5	A	1314	1314	20.47
6	A	1281	1281	10.82
7	A	1060	1060	13.97
8	A	966	966	7.41
9	A	860	860	73.76
10	A	668	668	31.02
11	A	636	636	30.45
12	A	356	356	0.98
13	A	289	289	2.57
14	A	229	229	2.80
15	A	85	85	10.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-0.024	0.515
C2	-0.728	-1.276	0.194
H3	0.222	0.046	1.597
Cl4	1.731	-0.274	-0.168
Cl5	-0.658	1.455	-0.057
O6	-1.810	-1.264	-0.317
H7	-0.217	-2.209	0.500

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5359	1.0908	1.7836	1.7585	2.4263	2.2084
C2	1.5359		2.1489	2.6792	2.7428	1.1970	1.1068
H3	1.0908	2.1489		2.3443	2.3439	3.0836	2.5464
Cl4	1.7836	2.6792	2.3443		2.9510	3.6793	2.8257
Cl5	1.7585	2.7428	2.3439	2.9510		2.9639	3.7320
O6	2.4263	1.1970	3.0836	3.6793	2.9639		2.0242
H7	2.2084	1.1068	2.5464	2.8257	3.7320	2.0242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.735	C1	C2	H7	112.355
C2	C1	H3	108.607	C2	C1	Cl4	107.396
C2	C1	Cl5	112.555	H3	C1	Cl4	106.805
H3	C1	Cl5	108.414	Cl4	C1	Cl5	112.839
O6	C2	H7	122.907

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD/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: CCSD/6-311G**

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)