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	hartrees
Energy at 0K	-1071.609825
Energy at 298.15K
HF Energy	-1070.822986
Nuclear repulsion energy	268.944447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3250	5.52
2	A	3113	3113	41.80
3	A	1958	1958	161.25
4	A	1476	1476	16.74
5	A	1354	1354	9.16
6	A	1299	1299	14.92
7	A	1109	1109	12.00
8	A	1004	1004	7.75
9	A	890	890	73.44
10	A	690	690	36.29
11	A	657	657	30.46
12	A	365	365	1.18
13	A	291	291	3.86
14	A	231	231	3.47
15	A	90	90	12.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	-0.025	0.511
C2	-0.724	-1.263	0.191
H3	0.218	0.048	1.580
Cl4	1.710	-0.277	-0.165
Cl5	-0.645	1.445	-0.057
O6	-1.793	-1.249	-0.312
H7	-0.221	-2.188	0.483

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5197	1.0777	1.7674	1.7420	2.3973	2.1866
C2	1.5197		2.1297	2.6506	2.7205	1.1812	1.0929
H3	1.0777	2.1297		2.3193	2.3183	3.0501	2.5291
Cl4	1.7674	2.6506	2.3193		2.9191	3.6383	2.7938
Cl5	1.7420	2.7205	2.3183	2.9191		2.9393	3.6975
O6	2.3973	1.1812	3.0501	3.6383	2.9393		1.9963
H7	2.1866	1.0929	2.5291	2.7938	3.6975	1.9963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.667	C1	C2	H7	112.615
C2	C1	H3	108.966	C2	C1	Cl4	107.243
C2	C1	Cl5	112.867	H3	C1	Cl4	106.684
H3	C1	Cl5	108.294	Cl4	C1	Cl5	112.564
O6	C2	H7	122.716

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)