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	hartrees
Energy at 0K	-1071.534555
Energy at 298.15K
HF Energy	-1070.767644
Nuclear repulsion energy	264.771011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3135	3006	5.00	79.02	0.16	0.27
2	A	3005	2882	43.78	135.46	0.26	0.41
3	A	1748	1676	95.01	14.40	0.40	0.57
4	A	1378	1322	10.57	3.84	0.27	0.43
5	A	1257	1205	11.26	1.82	0.68	0.81
6	A	1215	1165	9.86	4.55	0.69	0.82
7	A	1034	992	15.56	1.73	0.29	0.45
8	A	937	899	4.19	3.62	0.54	0.71
9	A	824	790	73.35	6.38	0.72	0.84
10	A	652	626	30.77	13.30	0.07	0.12
11	A	614	589	27.11	5.68	0.42	0.60
12	A	345	331	1.34	3.18	0.14	0.24
13	A	278	267	3.11	3.09	0.62	0.76
14	A	219	210	2.96	0.89	0.63	0.77
15	A	84	81	10.01	1.40	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.099	-0.026	0.529
C2	-0.718	-1.283	0.198
H3	0.235	0.062	1.617
Cl4	1.738	-0.270	-0.171
Cl5	-0.666	1.456	-0.058
O6	-1.819	-1.270	-0.320
H7	-0.199	-2.225	0.487

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5358	1.0998	1.7987	1.7682	2.4384	2.2195
C2	1.5358		2.1749	2.6828	2.7518	1.2160	1.1137
H3	1.0998	2.1749		2.3596	2.3585	3.1208	2.5869
Cl4	1.7987	2.6828	2.3596		2.9612	3.6974	2.8300
Cl5	1.7682	2.7518	2.3585	2.9612		2.9712	3.7505
O6	2.4384	1.2160	3.1208	3.6974	2.9712		2.0462
H7	2.2195	1.1137	2.5869	2.8300	3.7505	2.0462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.362	C1	C2	H7	112.828
C2	C1	H3	110.117	C2	C1	Cl4	106.865
C2	C1	Cl5	112.594	H3	C1	Cl4	106.482
H3	C1	Cl5	108.380	Cl4	C1	Cl5	112.228
O6	C2	H7	122.810

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)