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	hartrees
Energy at 0K	-1523.198362
Energy at 298.15K	-1523.199839
HF Energy	-1522.481699
Nuclear repulsion energy	427.507645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3051	2903	28.83
2	A'	1631	1552	45.27
3	A'	1438	1368	4.78
4	A'	975	928	41.48
5	A'	843	802	68.96
6	A'	628	597	68.08
7	A'	432	411	3.72
8	A'	322	306	3.64
9	A'	272	259	1.84
10	A'	210	200	2.66
11	A"	1045	994	30.52
12	A"	718	683	117.00
13	A"	333	316	2.37
14	A"	247	235	1.38
15	A"	94	89	5.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.048	0.000
C2	0.937	-1.234	0.000
O3	0.487	-2.386	0.000
Cl4	-1.669	-0.378	0.000
Cl5	0.487	0.988	1.471
Cl6	0.487	0.988	-1.471
H7	2.003	-0.972	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5595	2.4731	1.7712	1.7993	1.7993	2.2035
C2	1.5595		1.2363	2.7430	2.7031	2.7031	1.0984
O3	2.4731	1.2363		2.9460	3.6810	3.6810	2.0738
Cl4	1.7712	2.7430	2.9460		2.9459	2.9459	3.7200
Cl5	1.7993	2.7031	3.6810	2.9459		2.9412	2.8817
Cl6	1.7993	2.7031	3.6810	2.9459	2.9412		2.8817
H7	2.2035	1.0984	2.0738	3.7200	2.8817	2.8817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.994	C1	C2	H7	110.810
C2	C1	Cl4	110.725	C2	C1	Cl5	106.963
C2	C1	Cl6	106.963	O3	C2	H7	125.196
Cl4	C1	Cl5	111.191	Cl4	C1	Cl6	111.191
Cl5	C1	Cl6	109.632

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)