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	hartrees
Energy at 0K	-1530.602249
Energy at 298.15K	-1530.603814
HF Energy	-1529.703351
Nuclear repulsion energy	431.711542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3046	2887	29.39
2	A'	1784	1691	102.11
3	A'	1431	1357	7.81
4	A'	1068	1013	30.27
5	A'	885	838	84.17
6	A'	642	609	60.04
7	A'	452	429	2.91
8	A'	325	308	3.62
9	A'	280	266	1.08
10	A'	205	195	2.78
11	A"	1017	964	33.15
12	A"	771	731	115.39
13	A"	332	315	2.41
14	A"	255	242	1.38
15	A"	80	76	6.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	0.047	0.000
C2	0.921	-1.215	0.000
O3	0.493	-2.339	0.000
Cl4	-1.674	-0.350	0.000
Cl5	0.493	0.960	1.466
Cl6	0.493	0.960	-1.466
H7	1.994	-0.969	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5396	2.4284	1.7581	1.7853	1.7853	2.2025
C2	1.5396		1.2024	2.7348	2.6574	2.6574	1.1006
O3	2.4284	1.2024		2.9406	3.6096	3.6096	2.0321
Cl4	1.7581	2.7348	2.9406		2.9253	2.9253	3.7189
Cl5	1.7853	2.6574	3.6096	2.9253		2.9311	2.8494
Cl6	1.7853	2.6574	3.6096	2.9253	2.9311		2.8494
H7	2.2025	1.1006	2.0321	3.7189	2.8494	2.8494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.200	C1	C2	H7	112.000
C2	C1	Cl4	111.887	C2	C1	Cl5	105.882
C2	C1	Cl6	105.882	O3	C2	H7	123.800
Cl4	C1	Cl5	111.290	Cl4	C1	Cl6	111.290
Cl5	C1	Cl6	110.351

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)