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	hartrees
Energy at 0K	-1071.443099
Energy at 298.15K
HF Energy	-1070.700023
Nuclear repulsion energy	265.931549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	2973	5.01
2	A	3065	2859	49.25
3	A	1862	1736	96.06
4	A	1448	1350	14.66
5	A	1323	1234	13.98
6	A	1294	1207	15.14
7	A	1069	997	11.62
8	A	973	907	6.46
9	A	865	807	70.28
10	A	673	628	31.71
11	A	626	584	26.95
12	A	359	334	0.73
13	A	285	266	3.30
14	A	229	214	3.18
15	A	80	75	10.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.103	-0.035	0.508
C2	-0.735	-1.272	0.171
H3	0.215	0.031	1.588
Cl4	1.738	-0.285	-0.162
Cl5	-0.644	1.455	-0.057
O6	-1.849	-1.235	-0.295
H7	-0.223	-2.214	0.417

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5314	1.0881	1.7840	1.7601	2.4273	2.2056
C2	1.5314		2.1462	2.6833	2.7381	1.2075	1.1008
H3	1.0881	2.1462		2.3410	2.3394	3.0667	2.5698
Cl4	1.7840	2.6833	2.3410		2.9515	3.7121	2.8112
Cl5	1.7601	2.7381	2.3394	2.9515		2.9570	3.7243
O6	2.4273	1.2075	3.0667	3.7121	2.9570		2.0272
H7	2.2056	1.1008	2.5698	2.8112	3.7243	2.0272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.381	C1	C2	H7	112.823
C2	C1	H3	108.859	C2	C1	Cl4	107.817
C2	C1	Cl5	112.399	H3	C1	Cl4	106.668
H3	C1	Cl5	108.119	Cl4	C1	Cl5	112.768
O6	C2	H7	122.787

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD/6-31G**

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/6-31G**

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)