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	hartrees
Energy at 0K	-1530.781451
Energy at 298.15K	-1530.783078
HF Energy	-1529.690009
Nuclear repulsion energy	433.361948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3037	2876	34.35
2	A'	1806	1710	103.05
3	A'	1423	1348	9.27
4	A'	1069	1012	38.19
5	A'	896	848	90.22
6	A'	652	617	60.25
7	A'	459	435	3.07
8	A'	332	314	3.17
9	A'	287	272	0.79
10	A'	212	201	2.98
11	A"	1034	980	33.90
12	A"	787	745	122.06
13	A"	343	325	3.31
14	A"	265	251	1.05
15	A"	83	79	5.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.051	0.000
C2	0.918	-1.218	0.000
O3	0.490	-2.339	0.000
Cl4	-1.665	-0.349	0.000
Cl5	0.490	0.959	1.456
Cl6	0.490	0.959	-1.456
H7	1.995	-0.972	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5446	2.4321	1.7481	1.7745	1.7745	2.2083
C2	1.5446		1.1999	2.7252	2.6539	2.6539	1.1044
O3	2.4321	1.1999		2.9329	3.6051	3.6051	2.0334
Cl4	1.7481	2.7252	2.9329		2.9104	2.9104	3.7119
Cl5	1.7745	2.6539	3.6051	2.9104		2.9114	2.8483
Cl6	1.7745	2.6539	3.6051	2.9104	2.9114		2.8483
H7	2.2083	1.1044	2.0334	3.7119	2.8483	2.8483

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.309	C1	C2	H7	111.876
C2	C1	Cl4	111.561	C2	C1	Cl5	105.973
C2	C1	Cl6	105.973	O3	C2	H7	123.815
Cl4	C1	Cl5	111.415	Cl4	C1	Cl6	111.415
Cl5	C1	Cl6	110.236

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)