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	hartrees
Energy at 0K	-1530.752946
Energy at 298.15K	-1530.754556
HF Energy	-1529.610399
Nuclear repulsion energy	435.714052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3038	2855	23.66
2	A'	1818	1709	91.85
3	A'	1402	1318	8.48
4	A'	1080	1016	31.59
5	A'	899	845	88.21
6	A'	653	614	52.95
7	A'	463	435	2.29
8	A'	326	307	3.19
9	A'	276	260	1.49
10	A'	206	193	2.99
11	A"	1029	967	26.87
12	A"	795	747	110.79
13	A"	340	320	2.77
14	A"	258	243	1.45
15	A"	90	84	4.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.050	0.000
C2	0.917	-1.212	0.000
O3	0.486	-2.329	0.000
Cl4	-1.654	-0.349	0.000
Cl5	0.486	0.956	1.446
Cl6	0.486	0.956	-1.446
H7	1.989	-0.954	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5378	2.4206	1.7380	1.7642	1.7642	2.1938
C2	1.5378		1.1971	2.7116	2.6416	2.6416	1.1027
O3	2.4206	1.1971		2.9154	3.5892	3.5892	2.0372
Cl4	1.7380	2.7116	2.9154		2.8930	2.8930	3.6925
Cl5	1.7642	2.6416	3.5892	2.8930		2.8922	2.8281
Cl6	1.7642	2.6416	3.5892	2.8930	2.8922		2.8281
H7	2.1938	1.1027	2.0372	3.6925	2.8281	2.8281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.049	C1	C2	H7	111.301
C2	C1	Cl4	111.597	C2	C1	Cl5	106.055
C2	C1	Cl6	106.055	O3	C2	H7	124.650
Cl4	C1	Cl5	111.384	Cl4	C1	Cl6	111.384
Cl5	C1	Cl6	110.105

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)