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	hartrees
Energy at 0K	-1530.448725
Energy at 298.15K
HF Energy	-1529.581962
Nuclear repulsion energy	432.924338

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.048	0.000
C2	0.923	-1.222	0.000
O3	0.488	-2.336	0.000
Cl4	-1.665	-0.357	0.000
Cl5	0.488	0.964	1.459
Cl6	0.488	0.964	-1.459
H7	1.994	-0.973	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5448	2.4255	1.7555	1.7794	1.7794	2.2018
C2	1.5448		1.1962	2.7284	2.6637	2.6637	1.0992
O3	2.4255	1.1962		2.9245	3.6083	3.6083	2.0306
Cl4	1.7555	2.7284	2.9245		2.9172	2.9172	3.7101
Cl5	1.7794	2.6637	3.6083	2.9172		2.9185	2.8547
Cl6	1.7794	2.6637	3.6083	2.9172	2.9185		2.8547
H7	2.2018	1.0992	2.0306	3.7101	2.8547	2.8547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.983	C1	C2	H7	111.661
C2	C1	Cl4	111.365	C2	C1	Cl5	106.299
C2	C1	Cl6	106.299	O3	C2	H7	124.356
Cl4	C1	Cl5	111.232	Cl4	C1	Cl6	111.232
Cl5	C1	Cl6	110.190

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)