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	hartrees
Energy at 0K	-1071.527441
Energy at 298.15K
HF Energy	-1070.753132
Nuclear repulsion energy	264.979277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3147	3147	5.13
2	A	3007	3007	58.09
3	A	1863	1863	113.13
4	A	1411	1411	15.05
5	A	1286	1286	10.83
6	A	1239	1239	14.55
7	A	1053	1053	10.83
8	A	955	955	5.31
9	A	848	848	71.35
10	A	659	659	31.30
11	A	626	626	29.59
12	A	352	352	0.98
13	A	280	280	3.02
14	A	225	225	2.69
15	A	91	91	9.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-0.029	0.521
C2	-0.724	-1.284	0.190
H3	0.227	0.050	1.611
Cl4	1.742	-0.267	-0.168
Cl5	-0.669	1.455	-0.057
O6	-1.816	-1.269	-0.315
H7	-0.198	-2.224	0.480

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5377	1.1006	1.7948	1.7696	2.4315	2.2157
C2	1.5377		2.1687	2.6913	2.7504	1.2031	1.1162
H3	1.1006	2.1687		2.3581	2.3585	3.1022	2.5751
Cl4	1.7948	2.6913	2.3581		2.9646	3.6994	2.8314
Cl5	1.7696	2.7504	2.3585	2.9646		2.9669	3.7482
O6	2.4315	1.2031	3.1022	3.6994	2.9669		2.0403
H7	2.2157	1.1162	2.5751	2.8314	3.7482	2.0403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.588	C1	C2	H7	112.238
C2	C1	H3	109.457	C2	C1	Cl4	107.472
C2	C1	Cl5	112.345	H3	C1	Cl4	106.590
H3	C1	Cl5	108.243	Cl4	C1	Cl5	112.553
O6	C2	H7	123.171

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)