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	hartrees
Energy at 0K	-1530.487714
Energy at 298.15K	-1530.489203
HF Energy	-1529.577651
Nuclear repulsion energy	430.358403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3013	2877
2	A'	1769	1689
3	A'	1401	1337
4	A'	1057	1009
5	A'	876	837
6	A'	636	608
7	A'	446	426
8	A'	324	310
9	A'	278	265
10	A'	207	197
11	A"	1010	965
12	A"	765	730
13	A"	330	315
14	A"	252	241
15	A"	75	71

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.049	0.000
C2	0.928	-1.226	0.000
O3	0.489	-2.359	0.000
Cl4	-1.670	-0.358	0.000
Cl5	0.489	0.971	1.465
Cl6	0.489	0.971	-1.465
H7	2.009	-0.983	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5518	2.4485	1.7609	1.7873	1.7873	2.2202
C2	1.5518		1.2150	2.7396	2.6765	2.6765	1.1081
O3	2.4485	1.2150		2.9441	3.6376	3.6376	2.0505
Cl4	1.7609	2.7396	2.9441		2.9280	2.9280	3.7321
Cl5	1.7873	2.6765	3.6376	2.9280		2.9292	2.8760
Cl6	1.7873	2.6765	3.6376	2.9280	2.9292		2.8760
H7	2.2202	1.1081	2.0505	3.7321	2.8760	2.8760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.045	C1	C2	H7	112.089
C2	C1	Cl4	111.431	C2	C1	Cl5	106.347
C2	C1	Cl6	106.347	O3	C2	H7	123.866
Cl4	C1	Cl5	111.219	Cl4	C1	Cl6	111.219
Cl5	C1	Cl6	110.059

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)