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	hartrees
Energy at 0K	-1529.897299
Energy at 298.15K	-1529.898549
HF Energy	-1529.422750
Nuclear repulsion energy	412.978789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3063	2957	30.68
2	A'	1569	1514	73.39
3	A'	1408	1359	6.56
4	A'	1025	989	21.56
5	A'	811	783	62.72
6	A'	583	563	61.98
7	A'	400	386	3.51
8	A'	296	286	3.77
9	A'	255	246	1.83
10	A'	194	187	2.45
11	A"	1012	977	34.16
12	A"	679	656	89.87
13	A"	317	306	3.20
14	A"	232	224	1.78
15	A"	83	80	9.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.058	0.017	0.000
C2	0.956	-1.257	0.000
O3	0.516	-2.433	0.000
Cl4	-1.751	-0.378	0.000
Cl5	0.516	1.010	1.534
Cl6	0.516	1.010	-1.534
H7	2.037	-1.014	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5590	2.4918	1.8516	1.8838	1.8838	2.2312
C2	1.5590		1.2553	2.8470	2.7726	2.7726	1.1073
O3	2.4918	1.2553		3.0598	3.7688	3.7688	2.0799
Cl4	1.8516	2.8470	3.0598		3.0687	3.0687	3.8411
Cl5	1.8838	2.7726	3.7688	3.0687		3.0679	2.9602
Cl6	1.8838	2.7726	3.7688	3.0687	3.0679		2.9602
H7	2.2312	1.1073	2.0799	3.8411	2.9602	2.9602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.249	C1	C2	H7	112.505
C2	C1	Cl4	112.897	C2	C1	Cl5	106.903
C2	C1	Cl6	106.903	O3	C2	H7	123.245
Cl4	C1	Cl5	110.468	Cl4	C1	Cl6	110.468
Cl5	C1	Cl6	109.033

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)