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	hartrees
Energy at 0K	-1530.482069
Energy at 298.15K	-1530.483657
HF Energy	-1529.585590
Nuclear repulsion energy	433.048144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	2901	24.87
2	A'	1782	1674	105.27
3	A'	1422	1335	7.00
4	A'	1079	1014	29.02
5	A'	896	841	85.25
6	A'	647	607	55.30
7	A'	460	432	2.45
8	A'	331	311	3.45
9	A'	284	267	1.44
10	A'	209	197	3.13
11	A"	1042	979	31.67
12	A"	787	739	111.92
13	A"	338	317	2.43
14	A"	255	240	1.67
15	A"	77	73	6.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	0.049	0.000
C2	0.921	-1.215	0.000
O3	0.488	-2.348	0.000
Cl4	-1.662	-0.351	0.000
Cl5	0.488	0.962	1.455
Cl6	0.488	0.962	-1.455
H7	1.994	-0.973	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5409	2.4381	1.7490	1.7751	1.7751	2.2045
C2	1.5409		1.2125	2.7242	2.6545	2.6545	1.0991
O3	2.4381	1.2125		2.9341	3.6156	3.6156	2.0384
Cl4	1.7490	2.7242	2.9341		2.9094	2.9094	3.7083
Cl5	1.7751	2.6545	3.6156	2.9094		2.9101	2.8515
Cl6	1.7751	2.6545	3.6156	2.9094	2.9101		2.8515
H7	2.2045	1.0991	2.0384	3.7083	2.8515	2.8515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.188	C1	C2	H7	112.159
C2	C1	Cl4	111.639	C2	C1	Cl5	106.142
C2	C1	Cl6	106.142	O3	C2	H7	123.653
Cl4	C1	Cl5	111.286	Cl4	C1	Cl6	111.286
Cl5	C1	Cl6	110.105

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)