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	hartrees
Energy at 0K	-1523.099588
Energy at 298.15K	-1523.101241
HF Energy	-1522.484979
Nuclear repulsion energy	430.775756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	2933	21.09
2	A'	1838	1710	80.72
3	A'	1486	1382	8.95
4	A'	1040	967	33.51
5	A'	896	834	68.84
6	A'	658	612	65.42
7	A'	457	425	2.29
8	A'	335	312	3.37
9	A'	284	264	2.48
10	A'	220	204	3.03
11	A"	1099	1022	30.47
12	A"	770	716	104.60
13	A"	348	323	2.55
14	A"	258	240	1.88
15	A"	96	90	7.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.043	0.000
C2	0.929	-1.230	0.000
O3	0.486	-2.356	0.000
Cl4	-1.663	-0.370	0.000
Cl5	0.486	0.978	1.461
Cl6	0.486	0.978	-1.461
H7	1.990	-0.979	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5455	2.4378	1.7630	1.7886	1.7886	2.1915
C2	1.5455		1.2104	2.7303	2.6839	2.6839	1.0902
O3	2.4378	1.2104		2.9259	3.6400	3.6400	2.0389
Cl4	1.7630	2.7303	2.9259		2.9275	2.9275	3.7031
Cl5	1.7886	2.6839	3.6400	2.9275		2.9227	2.8682
Cl6	1.7886	2.6839	3.6400	2.9275	2.9227		2.8682
H7	2.1915	1.0902	2.0389	3.7031	2.8682	2.8682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.944	C1	C2	H7	111.328
C2	C1	Cl4	111.057	C2	C1	Cl5	106.995
C2	C1	Cl6	106.995	O3	C2	H7	124.728
Cl4	C1	Cl5	111.028	Cl4	C1	Cl6	111.028
Cl5	C1	Cl6	109.574

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CID/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: CID/3-21G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)