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	hartrees
Energy at 0K	-1071.456646
Energy at 298.15K
HF Energy	-1070.704871
Nuclear repulsion energy	265.756501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	2966	4.93
2	A	3069	2866	41.03
3	A	1842	1720	115.11
4	A	1440	1345	13.50
5	A	1316	1229	15.40
6	A	1287	1202	12.31
7	A	1068	997	12.28
8	A	971	907	5.68
9	A	861	804	70.95
10	A	672	627	30.65
11	A	621	580	26.72
12	A	361	337	0.75
13	A	284	265	3.24
14	A	227	212	3.54
15	A	77	72	12.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-0.037	0.504
C2	-0.742	-1.268	0.161
H3	0.205	0.021	1.586
Cl4	1.737	-0.296	-0.159
Cl5	-0.631	1.463	-0.058
O6	-1.865	-1.225	-0.285
H7	-0.232	-2.217	0.387

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5302	1.0890	1.7845	1.7604	2.4283	2.2081
C2	1.5302		2.1421	2.6816	2.7419	1.2095	1.1003
H3	1.0890	2.1421		2.3432	2.3411	3.0565	2.5764
Cl4	1.7845	2.6816	2.3432		2.9510	3.7219	2.8043
Cl5	1.7604	2.7419	2.3411	2.9510		2.9667	3.7278
O6	2.4283	1.2095	3.0565	3.7219	2.9667		2.0251
H7	2.2081	1.1003	2.5764	2.8043	3.7278	2.0251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.415	C1	C2	H7	113.141
C2	C1	H3	108.562	C2	C1	Cl4	107.746
C2	C1	Cl5	112.681	H3	C1	Cl4	106.747
H3	C1	Cl5	108.174	Cl4	C1	Cl5	112.699
O6	C2	H7	122.427

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

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

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/6-31+G**

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)