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	hartrees
Energy at 0K	-1067.198328
Energy at 298.15K
HF Energy	-1067.054897
Nuclear repulsion energy	258.558515

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	3212	3058	2.18	78.33	0.24	0.39
2	A	3018	2873	43.04	131.73	0.32	0.48
3	A	1699	1618	58.26	9.66	0.49	0.66
4	A	1436	1368	9.61	6.87	0.69	0.82
5	A	1272	1211	11.60	8.66	0.67	0.80
6	A	1198	1141	16.94	13.72	0.71	0.83
7	A	1037	987	13.41	4.57	0.68	0.81
8	A	926	881	11.34	5.85	0.62	0.77
9	A	774	737	63.67	8.49	0.73	0.84
10	A	596	568	59.17	11.39	0.38	0.56
11	A	589	561	24.01	15.84	0.17	0.29
12	A	332	316	2.56	4.75	0.27	0.42
13	A	248	236	3.79	8.48	0.60	0.75
14	A	221	210	1.74	2.46	0.74	0.85
15	A	100	96	9.74	2.55	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-0.043	0.573
C2	-0.614	-1.348	0.214
H3	0.237	0.082	1.641
Cl4	1.817	-0.132	-0.179
Cl5	-0.843	1.420	-0.061
O6	-1.703	-1.426	-0.350
H7	-0.022	-2.220	0.526

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5250	1.0854	1.8869	1.8471	2.4435	2.1795
C2	1.5250		2.1921	2.7469	2.7909	1.2277	1.0989
H3	1.0854	2.1921		2.4197	2.4196	3.1615	2.5702
Cl4	1.8869	2.7469	2.4197		3.0822	3.7538	2.8700
Cl5	1.8471	2.7909	2.4196	3.0822		2.9865	3.7768
O6	2.4435	1.2277	3.1615	3.7538	2.9865		2.0542
H7	2.1795	1.0989	2.5702	2.8700	3.7768	2.0542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.813	C1	C2	H7	111.290
C2	C1	H3	113.149	C2	C1	Cl4	106.759
C2	C1	Cl5	111.360	H3	C1	Cl4	105.814
H3	C1	Cl5	108.383	Cl4	C1	Cl5	111.261
O6	C2	H7	123.897

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)