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	hartrees
Energy at 0K	-1071.621600
Energy at 298.15K
HF Energy	-1070.767615
Nuclear repulsion energy	263.943528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3109	3020
2	A	2976	2890
3	A	1769	1718
4	A	1375	1335
5	A	1251	1215
6	A	1206	1171
7	A	1025	995
8	A	927	900
9	A	809	786
10	A	641	623
11	A	603	586
12	A	341	331
13	A	273	265
14	A	218	212
15	A	79	77

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	-0.029	0.529
C2	-0.717	-1.290	0.190
H3	0.229	0.056	1.619
Cl4	1.747	-0.265	-0.169
Cl5	-0.674	1.459	-0.059
O6	-1.821	-1.277	-0.314
H7	-0.190	-2.234	0.463

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5394	1.1007	1.8072	1.7763	2.4395	2.2255
C2	1.5394		2.1793	2.6933	2.7611	1.2138	1.1153
H3	1.1007	2.1793		2.3677	2.3662	3.1174	2.6002
Cl4	1.8072	2.6933	2.3677		2.9742	3.7121	2.8341
Cl5	1.7763	2.7611	2.3662	2.9742		2.9784	3.7617
O6	2.4395	1.2138	3.1174	3.7121	2.9784		2.0445
H7	2.2255	1.1153	2.6002	2.8341	3.7617	2.0445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.345	C1	C2	H7	112.952
C2	C1	H3	110.162	C2	C1	Cl4	106.909
C2	C1	Cl5	112.565	H3	C1	Cl4	106.479
H3	C1	Cl5	108.364	Cl4	C1	Cl5	112.191
O6	C2	H7	122.702

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)