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	hartrees
Energy at 0K	-1071.557828
Energy at 298.15K
HF Energy	-1070.767833
Nuclear repulsion energy	265.107073

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	3139	3042	5.00	78.88	0.16	0.27
2	A	3009	2917	43.74	134.76	0.26	0.41
3	A	1751	1697	94.96	14.50	0.40	0.57
4	A	1380	1337	10.41	3.83	0.27	0.43
5	A	1257	1218	11.34	1.81	0.68	0.81
6	A	1213	1176	9.87	4.55	0.69	0.82
7	A	1036	1004	15.34	1.72	0.29	0.44
8	A	937	908	4.06	3.61	0.54	0.70
9	A	824	799	72.86	6.30	0.72	0.84
10	A	653	633	30.09	13.27	0.07	0.12
11	A	615	596	27.40	5.62	0.43	0.60
12	A	345	334	1.36	3.10	0.14	0.24
13	A	278	270	3.14	3.08	0.61	0.76
14	A	220	213	2.94	0.89	0.63	0.77
15	A	84	82	9.95	1.39	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-0.024	0.530
C2	-0.712	-1.283	0.199
H3	0.235	0.064	1.617
Cl4	1.736	-0.264	-0.172
Cl5	-0.671	1.452	-0.059
O6	-1.810	-1.274	-0.321
H7	-0.190	-2.222	0.489

	C1	C2	H3	Cl4	Cl5	O6	H7
C1		1.5337	1.0989	1.7968	1.7662	2.4360	2.2173
C2	1.5337		2.1727	2.6774	2.7470	1.2153	1.1128
H3	1.0989	2.1727		2.3582	2.3571	3.1190	2.5844
Cl4	1.7968	2.6774	2.3582		2.9584	3.6905	2.8250
Cl5	1.7662	2.7470	2.3571	2.9584		2.9658	3.7454
O6	2.4360	1.2153	3.1190	3.6905	2.9658		2.0443
H7	2.2173	1.1128	2.5844	2.8250	3.7454	2.0443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	124.376	C1	C2	H7	112.852
C2	C1	H3	110.144	C2	C1	Cl4	106.744
C2	C1	Cl5	112.513	H3	C1	Cl4	106.556
H3	C1	Cl5	108.458	Cl4	C1	Cl5	112.258
O6	C2	H7	122.772

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)

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

States and conformations

Conformer 1 (C1)

Conformer 2 (C1)

All results from a given calculation for CHCl₂CHO (dichloroacetaldehyde)