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	hartrees
Energy at 0K	-1071.616395
Energy at 298.15K
HF Energy	-1070.831993
Nuclear repulsion energy	268.637998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3012	5.32
2	A	3112	2883	42.48
3	A	1967	1822	157.09
4	A	1478	1369	17.24
5	A	1356	1256	9.18
6	A	1299	1203	14.79
7	A	1113	1031	11.87
8	A	1006	932	7.75
9	A	892	826	74.92
10	A	691	640	35.98
11	A	657	608	31.18
12	A	366	339	1.14
13	A	290	269	3.83
14	A	231	214	3.37
15	A	91	84	12.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.096	-0.028	0.512
C2	-0.721	-1.266	0.187
H3	0.217	0.046	1.580
Cl4	1.714	-0.272	-0.165
Cl5	-0.651	1.445	-0.057
O6	-1.792	-1.253	-0.310
H7	-0.213	-2.191	0.474

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5189	1.0775	1.7713	1.7458	2.3962	2.1853
C2	1.5189		2.1311	2.6541	2.7228	1.1810	1.0929
H3	1.0775	2.1311		2.3214	2.3210	3.0490	2.5320
Cl4	1.7713	2.6541	2.3214		2.9243	3.6441	2.7938
Cl5	1.7458	2.7228	2.3210	2.9243		2.9402	3.6997
O6	2.3962	1.1810	3.0490	3.6441	2.9402		1.9967
H7	2.1853	1.0929	2.5320	2.7938	3.6997	1.9967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.655	C1	C2	H7	112.567
C2	C1	H3	109.142	C2	C1	Cl4	107.299
C2	C1	Cl5	112.841	H3	C1	Cl4	106.601
H3	C1	Cl5	108.243	Cl4	C1	Cl5	112.497
O6	C2	H7	122.776

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CID/cc-pVTZ

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/cc-pVTZ

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)