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	hartrees
Energy at 0K	-1071.660101
Energy at 298.15K
HF Energy	-1070.797788
Nuclear repulsion energy	266.308618

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	3170	3020	4.64	80.82	0.20	0.33
2	A	3020	2877	52.51	136.97	0.29	0.45
3	A	1782	1698	94.81	11.07	0.40	0.57
4	A	1438	1370	11.24	4.57	0.50	0.66
5	A	1297	1236	20.29	4.33	0.69	0.81
6	A	1267	1207	9.69	6.49	0.75	0.86
7	A	1049	999	14.84	1.90	0.39	0.56
8	A	954	909	6.14	5.87	0.63	0.77
9	A	847	807	66.96	7.33	0.72	0.84
10	A	665	633	24.44	8.93	0.08	0.15
11	A	639	608	36.93	6.49	0.64	0.78
12	A	348	332	1.11	2.17	0.22	0.36
13	A	283	270	3.45	5.34	0.65	0.78
14	A	226	215	2.53	1.53	0.72	0.84
15	A	84	80	10.06	2.00	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	-0.013	0.528
C2	-0.675	-1.288	0.219
H3	0.231	0.078	1.603
Cl4	1.732	-0.227	-0.174
Cl5	-0.713	1.434	-0.058
O6	-1.744	-1.326	-0.338
H7	-0.154	-2.195	0.565

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5245	1.0867	1.7884	1.7608	2.4240	2.1969
C2	1.5245		2.1456	2.6600	2.7367	1.2051	1.1018
H3	1.0867	2.1456		2.3463	2.3426	3.1041	2.5281
Cl4	1.7884	2.6600	2.3463		2.9581	3.6490	2.8241
Cl5	1.7608	2.7367	2.3426	2.9581		2.9597	3.7243
O6	2.4240	1.2051	3.1041	3.6490	2.9597		2.0242
H7	2.1969	1.1018	2.5281	2.8241	3.7243	2.0242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.847	C1	C2	H7	112.547
C2	C1	H3	109.363	C2	C1	Cl4	106.549
C2	C1	Cl5	112.617	H3	C1	Cl4	106.836
H3	C1	Cl5	108.374	Cl4	C1	Cl5	112.909
O6	C2	H7	122.606

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

using model chemistry: MP2=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: MP2=FULL/TZVP

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)