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	hartrees
Energy at 0K	-1530.440505
Energy at 298.15K	-1530.442116
HF Energy	-1529.580133
Nuclear repulsion energy	432.826121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	2902	23.34
2	A'	1912	1794	110.95
3	A'	1444	1355	10.93
4	A'	1107	1039	23.96
5	A'	916	860	87.50
6	A'	656	616	61.96
7	A'	466	437	2.11
8	A'	333	313	3.90
9	A'	286	269	1.92
10	A'	214	201	3.11
11	A"	1049	984	34.13
12	A"	800	751	108.17
13	A"	339	318	2.16
14	A"	259	243	1.98
15	A"	77	73	7.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.044	0.000
C2	0.925	-1.221	0.000
O3	0.487	-2.337	0.000
Cl4	-1.664	-0.355	0.000
Cl5	0.487	0.964	1.457
Cl6	0.487	0.964	-1.457
H7	2.002	-0.986	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5414	2.4219	1.7546	1.7791	1.7791	2.2118
C2	1.5414		1.1990	2.7301	2.6626	2.6626	1.1021
O3	2.4219	1.1990		2.9248	3.6083	3.6083	2.0300
Cl4	1.7546	2.7301	2.9248		2.9136	2.9136	3.7198
Cl5	1.7791	2.6626	3.6083	2.9136		2.9147	2.8672
Cl6	1.7791	2.6626	3.6083	2.9136	2.9147		2.8672
H7	2.2118	1.1021	2.0300	3.7198	2.8672	2.8672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.719	C1	C2	H7	112.525
C2	C1	Cl4	111.690	C2	C1	Cl5	106.397
C2	C1	Cl6	106.397	O3	C2	H7	123.756
Cl4	C1	Cl5	111.078	Cl4	C1	Cl6	111.078
Cl5	C1	Cl6	109.998

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)