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	hartrees
Energy at 0K	-1071.726829
Energy at 298.15K
HF Energy	-1070.801498
Nuclear repulsion energy	262.391611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3190	3049
2	A	3009	2876
3	A	1787	1708
4	A	1438	1375
5	A	1281	1224
6	A	1243	1188
7	A	1086	1038
8	A	1007	963
9	A	798	763
10	A	755	722
11	A	444	424
12	A	329	315
13	A	286	273
14	A	258	247
15	A	84	80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	-0.000	0.389
C2	-1.351	-0.004	-0.383
H3	-0.229	-0.001	1.458
Cl4	0.863	-1.483	-0.041
Cl5	0.855	1.488	-0.041
O6	-2.423	-0.005	0.171
H7	-1.239	-0.005	-1.480

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5207	1.0849	1.7893	1.7894	2.3922	2.2200
C2	1.5207		2.1561	2.6848	2.6848	1.2074	1.1024
H3	1.0849	2.1561		2.3738	2.3740	2.5438	3.1065
Cl4	1.7893	2.6848	2.3738		2.9710	3.6097	2.9453
Cl5	1.7894	2.6848	2.3740	2.9710		3.6086	2.9466
O6	2.3922	1.2074	2.5438	3.6097	3.6086		2.0324
H7	2.2200	1.1024	3.1065	2.9453	2.9466	2.0324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	122.113	C1	C2	H7	114.690
C2	C1	H3	110.573	C2	C1	Cl4	108.138
C2	C1	Cl5	108.129	H3	C1	Cl4	108.881
H3	C1	Cl5	108.889	Cl4	C1	Cl5	112.234
O6	C2	H7	123.197

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)