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	hartrees
Energy at 0K	-1530.468713
Energy at 298.15K	-1530.470327
HF Energy	-1529.586689
Nuclear repulsion energy	432.393287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	2922	22.12
2	A'	1873	1765	119.20
3	A'	1441	1358	9.71
4	A'	1099	1035	22.85
5	A'	913	860	76.98
6	A'	650	612	55.47
7	A'	463	436	1.83
8	A'	331	312	3.32
9	A'	286	269	1.75
10	A'	211	199	3.08
11	A"	1055	994	31.51
12	A"	801	755	97.17
13	A"	338	318	2.09
14	A"	255	240	1.97
15	A"	78	74	7.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.045	0.000
C2	0.923	-1.223	0.000
O3	0.489	-2.345	0.000
Cl4	-1.667	-0.350	0.000
Cl5	0.489	0.963	1.458
Cl6	0.489	0.963	-1.458
H7	1.997	-0.988	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5426	2.4305	1.7561	1.7796	1.7796	2.2087
C2	1.5426		1.2032	2.7336	2.6633	2.6633	1.0984
O3	2.4305	1.2032		2.9374	3.6151	3.6151	2.0281
Cl4	1.7561	2.7336	2.9374		2.9152	2.9152	3.7188
Cl5	1.7796	2.6633	3.6151	2.9152		2.9156	2.8647
Cl6	1.7796	2.6633	3.6151	2.9152	2.9156		2.8647
H7	2.2087	1.0984	2.0281	3.7188	2.8647	2.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.080	C1	C2	H7	112.420
C2	C1	Cl4	111.770	C2	C1	Cl5	106.360
C2	C1	Cl6	106.360	O3	C2	H7	123.500
Cl4	C1	Cl5	111.073	Cl4	C1	Cl6	111.073
Cl5	C1	Cl6	109.999

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)