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	hartrees
Energy at 0K	-1531.045839
Energy at 298.15K	-1531.038386
HF Energy	-1529.585210
Nuclear repulsion energy	434.181891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3221	28.13
2	A'	2060	2060	219.19
3	A'	1518	1518	20.35
4	A'	1155	1155	28.12
5	A'	965	965	109.08
6	A'	689	689	77.60
7	A'	483	483	2.33
8	A'	346	346	4.40
9	A'	297	297	2.09
10	A'	222	222	3.42
11	A"	1140	1140	28.96
12	A"	843	843	143.71
13	A"	355	355	2.85
14	A"	271	271	2.37
15	A"	90	90	9.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	0.037	0.000
C2	0.920	-1.236	0.000
O3	0.488	-2.324	0.000
Cl4	-1.665	-0.341	0.000
Cl5	0.488	0.959	1.453
Cl6	0.488	0.959	-1.453
H7	1.988	-1.006	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5437	2.4020	1.7534	1.7763	1.7763	2.2039
C2	1.5437		1.1705	2.7356	2.6672	2.6672	1.0925
O3	2.4020	1.1705		2.9273	3.5899	3.5899	1.9963
Cl4	1.7534	2.7356	2.9273		2.9050	2.9050	3.7133
Cl5	1.7763	2.6672	3.5899	2.9050		2.9059	2.8673
Cl6	1.7763	2.6672	3.5899	2.9050	2.9059		2.8673
H7	2.2039	1.0925	1.9963	3.7133	2.8673	2.8673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.920	C1	C2	H7	112.310
C2	C1	Cl4	111.980	C2	C1	Cl5	106.694
C2	C1	Cl6	106.694	O3	C2	H7	123.771
Cl4	C1	Cl5	110.775	Cl4	C1	Cl6	110.775
Cl5	C1	Cl6	109.760

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)