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	hartrees
Energy at 0K	-1530.451690
Energy at 298.15K	-1530.453276
HF Energy	-1529.579472
Nuclear repulsion energy	432.196225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	2888	27.04
2	A'	1865	1761	105.76
3	A'	1430	1350	9.81
4	A'	1095	1034	25.44
5	A'	910	859	85.16
6	A'	651	615	59.24
7	A'	461	436	2.09
8	A'	331	313	3.85
9	A'	284	268	1.83
10	A'	212	200	3.02
11	A"	1038	980	33.54
12	A"	796	752	106.68
13	A"	337	319	2.00
14	A"	258	243	1.88
15	A"	77	73	7.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.045	0.000
C2	0.926	-1.223	0.000
O3	0.488	-2.345	0.000
Cl4	-1.665	-0.354	0.000
Cl5	0.488	0.966	1.458
Cl6	0.488	0.966	-1.458
H7	2.005	-0.987	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5444	2.4311	1.7564	1.7803	1.7803	2.2148
C2	1.5444		1.2044	2.7330	2.6666	2.6666	1.1046
O3	2.4311	1.2044		2.9324	3.6178	3.6178	2.0365
Cl4	1.7564	2.7330	2.9324		2.9161	2.9161	3.7241
Cl5	1.7803	2.6666	3.6178	2.9161		2.9166	2.8705
Cl6	1.7803	2.6666	3.6178	2.9161	2.9166		2.8705
H7	2.2148	1.1046	2.0365	3.7241	2.8705	2.8705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.892	C1	C2	H7	112.396
C2	C1	Cl4	111.621	C2	C1	Cl5	106.434
C2	C1	Cl6	106.434	O3	C2	H7	123.712
Cl4	C1	Cl5	111.077	Cl4	C1	Cl6	111.077
Cl5	C1	Cl6	109.998

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)