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	hartrees
Energy at 0K	-1530.481689
Energy at 298.15K	-1530.483208
HF Energy	-1529.578595
Nuclear repulsion energy	431.045090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3030	2915
2	A'	1819	1750
3	A'	1413	1360
4	A'	1074	1034
5	A'	887	853
6	A'	641	616
7	A'	452	435
8	A'	326	314
9	A'	280	269
10	A'	209	201
11	A"	1016	977
12	A"	772	743
13	A"	332	319
14	A"	253	244
15	A"	75	72

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.046	0.000
C2	0.928	-1.224	0.000
O3	0.489	-2.351	0.000
Cl4	-1.669	-0.358	0.000
Cl5	0.489	0.969	1.463
Cl6	0.489	0.969	-1.463
H7	2.009	-0.985	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5476	2.4378	1.7597	1.7857	1.7857	2.2190
C2	1.5476		1.2097	2.7377	2.6721	2.6721	1.1065
O3	2.4378	1.2097		2.9371	3.6274	3.6274	2.0436
Cl4	1.7597	2.7377	2.9371		2.9247	2.9247	3.7306
Cl5	1.7857	2.6721	3.6274	2.9247		2.9258	2.8753
Cl6	1.7857	2.6721	3.6274	2.9247	2.9258		2.8753
H7	2.2190	1.1065	2.0436	3.7306	2.8753	2.8753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.830	C1	C2	H7	112.390
C2	C1	Cl4	111.584	C2	C1	Cl5	106.355
C2	C1	Cl6	106.355	O3	C2	H7	123.779
Cl4	C1	Cl5	111.159	Cl4	C1	Cl6	111.159
Cl5	C1	Cl6	110.014

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)