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	hartrees
Energy at 0K	-1530.452611
Energy at 298.15K	-1530.454233
HF Energy	-1529.581670
Nuclear repulsion energy	432.613474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	2907	28.55
2	A'	1891	1773	100.53
3	A'	1446	1356	11.24
4	A'	1102	1033	23.64
5	A'	917	860	82.33
6	A'	654	613	58.29
7	A'	464	435	1.93
8	A'	332	311	3.74
9	A'	285	268	1.85
10	A'	213	200	2.98
11	A"	1051	985	31.66
12	A"	806	755	102.89
13	A"	338	317	1.79
14	A"	258	242	1.87
15	A"	78	73	6.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.045	0.000
C2	0.924	-1.223	0.000
O3	0.488	-2.342	0.000
Cl4	-1.664	-0.353	0.000
Cl5	0.488	0.965	1.457
Cl6	0.488	0.965	-1.457
H7	1.996	-0.985	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5429	2.4283	1.7556	1.7788	1.7788	2.2062
C2	1.5429		1.2015	2.7308	2.6644	2.6644	1.0986
O3	2.4283	1.2015		2.9308	3.6138	3.6138	2.0298
Cl4	1.7556	2.7308	2.9308		2.9140	2.9140	3.7150
Cl5	1.7788	2.6644	3.6138	2.9140		2.9142	2.8633
Cl6	1.7788	2.6644	3.6138	2.9140	2.9142		2.8633
H7	2.2062	1.0986	2.0298	3.7150	2.8633	2.8633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.988	C1	C2	H7	112.183
C2	C1	Cl4	111.605	C2	C1	Cl5	106.452
C2	C1	Cl6	106.452	O3	C2	H7	123.829
Cl4	C1	Cl5	111.067	Cl4	C1	Cl6	111.067
Cl5	C1	Cl6	110.001

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)