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	hartrees
Energy at 0K	-1071.580734
Energy at 298.15K
HF Energy	-1070.798823
Nuclear repulsion energy	265.965339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3008	5.05
2	A	3032	2875	46.66
3	A	1873	1776	109.63
4	A	1457	1381	15.13
5	A	1313	1245	17.10
6	A	1284	1217	12.27
7	A	1060	1005	12.73
8	A	963	913	5.52
9	A	859	815	62.31
10	A	665	630	24.93
11	A	640	607	37.14
12	A	352	333	0.90
13	A	283	268	3.55
14	A	227	215	2.74
15	A	83	79	11.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.098	-0.022	0.523
C2	-0.694	-1.289	0.206
H3	0.221	0.061	1.599
Cl4	1.736	-0.240	-0.170
Cl5	-0.698	1.445	-0.057
O6	-1.764	-1.309	-0.329
H7	-0.178	-2.206	0.530

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5273	1.0866	1.7919	1.7665	2.4176	2.2011
C2	1.5273		2.1450	2.6734	2.7461	1.1955	1.1014
H3	1.0866	2.1450		2.3486	2.3455	3.0872	2.5378
Cl4	1.7919	2.6734	2.3486		2.9621	3.6623	2.8314
Cl5	1.7665	2.7461	2.3455	2.9621		2.9649	3.7339
O6	2.4176	1.1955	3.0872	3.6623	2.9649		2.0142
H7	2.2011	1.1014	2.5378	2.8314	3.7339	2.0142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.780	C1	C2	H7	112.721
C2	C1	H3	109.132	C2	C1	Cl4	107.039
C2	C1	Cl5	112.768	H3	C1	Cl4	106.780
H3	C1	Cl5	108.217	Cl4	C1	Cl5	112.700
O6	C2	H7	122.497

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCD/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: CCD/TZVP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)