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	hartrees
Energy at 0K	-1530.577503
Energy at 298.15K	-1530.579123
HF Energy	-1529.689862
Nuclear repulsion energy	432.971334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	2882	34.47
2	A'	1802	1712	103.08
3	A'	1422	1351	9.39
4	A'	1065	1012	38.67
5	A'	893	849	90.71
6	A'	650	618	61.09
7	A'	458	435	3.14
8	A'	331	315	3.23
9	A'	286	272	0.78
10	A'	211	201	2.95
11	A"	1033	982	34.18
12	A"	784	745	123.64
13	A"	342	325	3.36
14	A"	264	251	1.07
15	A"	85	80	5.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.054	0.000
C2	0.918	-1.221	0.000
O3	0.491	-2.338	0.000
Cl4	-1.667	-0.352	0.000
Cl5	0.491	0.961	1.459
Cl6	0.491	0.961	-1.459
H7	1.995	-0.967	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5498	2.4347	1.7522	1.7772	1.7772	2.2081
C2	1.5498		1.1962	2.7277	2.6597	2.6597	1.1063
O3	2.4347	1.1962		2.9328	3.6075	3.6075	2.0355
Cl4	1.7522	2.7277	2.9328		2.9173	2.9173	3.7137
Cl5	1.7772	2.6597	3.6075	2.9173		2.9189	2.8479
Cl6	1.7772	2.6597	3.6075	2.9173	2.9189		2.8479
H7	2.2081	1.1063	2.0355	3.7137	2.8479	2.8479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.404	C1	C2	H7	111.378
C2	C1	Cl4	111.251	C2	C1	Cl5	105.949
C2	C1	Cl6	105.949	O3	C2	H7	124.219
Cl4	C1	Cl5	111.498	Cl4	C1	Cl6	111.498
Cl5	C1	Cl6	110.417

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)