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	hartrees
Energy at 0K	-1530.283923
Energy at 298.15K	-1530.285648
HF Energy	-1529.581030
Nuclear repulsion energy	434.861045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	2932	24.15
2	A'	1978	1827	147.93
3	A'	1481	1368	13.24
4	A'	1139	1052	26.28
5	A'	951	878	92.72
6	A'	677	625	65.27
7	A'	480	443	2.00
8	A'	343	317	4.10
9	A'	294	272	2.10
10	A'	220	203	3.34
11	A"	1098	1014	31.95
12	A"	836	772	117.64
13	A"	350	324	2.25
14	A"	268	247	2.23
15	A"	82	76	8.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.044	0.000
C2	0.920	-1.220	0.000
O3	0.485	-2.326	0.000
Cl4	-1.657	-0.350	0.000
Cl5	0.485	0.959	1.450
Cl6	0.485	0.959	-1.450
H7	1.990	-0.986	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5376	2.4110	1.7472	1.7703	1.7703	2.2012
C2	1.5376		1.1886	2.7204	2.6534	2.6534	1.0954
O3	2.4110	1.1886		2.9151	3.5912	3.5912	2.0151
Cl4	1.7472	2.7204	2.9151		2.8993	2.8993	3.7026
Cl5	1.7703	2.6534	3.5912	2.8993		2.9004	2.8551
Cl6	1.7703	2.6534	3.5912	2.8993	2.9004		2.8551
H7	2.2012	1.0954	2.0151	3.7026	2.8551	2.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.851	C1	C2	H7	112.362
C2	C1	Cl4	111.667	C2	C1	Cl5	106.463
C2	C1	Cl6	106.463	O3	C2	H7	123.787
Cl4	C1	Cl5	111.024	Cl4	C1	Cl6	111.024
Cl5	C1	Cl6	110.007

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CID/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)