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	hartrees
Energy at 0K	-613.522272
Energy at 298.15K	-613.525508
HF Energy	-613.522272
Nuclear repulsion energy	142.646695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3047	0.50
2	A	3070	2970	8.16
3	A	2928	2833	54.25
4	A	1807	1748	181.81
5	A	1447	1400	11.70
6	A	1405	1359	4.10
7	A	1263	1222	17.11
8	A	1190	1151	4.61
9	A	1040	1006	33.02
10	A	1025	991	5.26
11	A	794	769	20.76
12	A	694	671	18.20
13	A	457	442	9.96
14	A	281	271	10.83
15	A	51	50	16.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.027	0.664	0.128
C2	1.173	-0.332	0.182
Cl3	-1.558	-0.163	-0.073
O4	2.274	-0.060	-0.200
H5	-0.010	1.218	1.066
H6	0.176	1.353	-0.697
H7	0.921	-1.323	0.606

	C1	C2	Cl3	O4	H5	H6	H7
C1		1.5191	1.7991	2.3838	1.0893	1.0852	2.2302
C2	1.5191		2.7476	1.1976	2.1410	2.1459	1.1064
Cl3	1.7991	2.7476		3.8358	2.3658	2.3860	2.8194
O4	2.3838	1.1976	3.8358		2.9080	2.5779	2.0191
H5	1.0893	2.1410	2.3658	2.9080		1.7774	2.7449
H6	1.0852	2.1459	2.3860	2.5779	1.7774		3.0675
H7	2.2302	1.1064	2.8194	2.0191	2.7449	3.0675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	122.233	C1	C2	H7	115.404
C2	C1	Cl3	111.523	C2	C1	H5	109.223
C2	C1	H6	109.855	Cl3	C1	H5	107.427
Cl3	C1	H6	109.117	O4	C2	H7	122.362
H5	C1	H6	109.653

All results from a given calculation for CH₂ClCHO (chloroacetaldehyde)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

	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 CH2ClCHO (chloroacetaldehyde)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂ClCHO (chloroacetaldehyde)