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	hartrees
Energy at 0K	-1071.607097
Energy at 298.15K
HF Energy	-1070.823005
Nuclear repulsion energy	269.024288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3252	3252	5.51
2	A	3116	3116	41.15
3	A	1963	1963	161.62
4	A	1477	1477	16.85
5	A	1355	1355	9.13
6	A	1300	1300	14.87
7	A	1111	1111	11.99
8	A	1005	1005	7.64
9	A	892	892	73.09
10	A	691	691	36.19
11	A	658	658	30.53
12	A	366	366	1.17
13	A	291	291	3.87
14	A	231	231	3.49
15	A	90	90	12.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	-0.025	0.511
C2	-0.724	-1.263	0.191
H3	0.217	0.047	1.579
Cl4	1.710	-0.277	-0.165
Cl5	-0.645	1.445	-0.057
O6	-1.792	-1.248	-0.312
H7	-0.222	-2.188	0.483

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5193	1.0776	1.7669	1.7415	2.3962	2.1863
C2	1.5193		2.1290	2.6501	2.7200	1.1805	1.0927
H3	1.0776	2.1290		2.3187	2.3178	3.0489	2.5284
Cl4	1.7669	2.6501	2.3187		2.9183	3.6370	2.7938
Cl5	1.7415	2.7200	2.3178	2.9183		2.9385	3.6969
O6	2.3962	1.1805	3.0489	3.6370	2.9385		1.9953
H7	2.1863	1.0927	2.5284	2.7938	3.6969	1.9953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.663	C1	C2	H7	112.630
C2	C1	H3	108.948	C2	C1	Cl4	107.256
C2	C1	Cl5	112.875	H3	C1	Cl4	106.683
H3	C1	Cl5	108.292	Cl4	C1	Cl5	112.563
O6	C2	H7	122.706

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)