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	hartrees
Energy at 0K	-1522.618339
Energy at 298.15K	-1522.619628
HF Energy	-1522.157260
Nuclear repulsion energy	415.583253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3059	2920	26.60
2	A'	1619	1546	42.65
3	A'	1446	1381	5.37
4	A'	994	949	35.04
5	A'	826	788	71.56
6	A'	599	572	65.11
7	A'	398	380	4.14
8	A'	293	280	3.39
9	A'	249	238	2.81
10	A'	198	189	1.74
11	A"	1052	1004	31.53
12	A"	693	662	109.54
13	A"	320	305	1.98
14	A"	222	212	1.28
15	A"	89	85	6.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.066	0.019	0.000
C2	0.948	-1.243	0.000
O3	0.507	-2.400	0.000
Cl4	-1.730	-0.416	0.000
Cl5	0.507	1.017	1.527
Cl6	0.507	1.017	-1.527
H7	2.014	-0.979	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5394	2.4583	1.8475	1.8774	1.8774	2.1886
C2	1.5394		1.2380	2.8026	2.7632	2.7632	1.0978
O3	2.4583	1.2380		2.9899	3.7427	3.7427	2.0706
Cl4	1.8475	2.8026	2.9899		3.0641	3.0641	3.7856
Cl5	1.8774	2.7632	3.7427	3.0641		3.0549	2.9307
Cl6	1.8774	2.7632	3.7427	3.0641	3.0549		2.9307
H7	2.1886	1.0978	2.0706	3.7856	2.9307	2.9307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.174	C1	C2	H7	111.071
C2	C1	Cl4	111.359	C2	C1	Cl5	107.530
C2	C1	Cl6	107.530	O3	C2	H7	124.755
Cl4	C1	Cl5	110.696	Cl4	C1	Cl6	110.696
Cl5	C1	Cl6	108.905

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/3-21G

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 CCl3CHO (trichloroacetaldehyde)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)