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	hartrees
Energy at 0K	-1530.454734
Energy at 298.15K	-1530.456304
HF Energy	-1529.579190
Nuclear repulsion energy	431.855373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	2905	29.27
2	A'	1848	1760	110.52
3	A'	1425	1357	9.39
4	A'	1088	1036	27.17
5	A'	904	861	86.85
6	A'	649	618	59.85
7	A'	459	437	2.22
8	A'	330	314	3.92
9	A'	283	270	1.78
10	A'	211	201	3.03
11	A"	1035	985	32.67
12	A"	792	754	110.30
13	A"	336	320	2.03
14	A"	257	245	1.85
15	A"	76	72	7.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.046	0.000
C2	0.926	-1.225	0.000
O3	0.488	-2.348	0.000
Cl4	-1.666	-0.354	0.000
Cl5	0.488	0.967	1.459
Cl6	0.488	0.967	-1.459
H7	2.006	-0.987	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5465	2.4351	1.7571	1.7813	1.7813	2.2162
C2	1.5465		1.2063	2.7348	2.6688	2.6688	1.1051
O3	2.4351	1.2063		2.9355	3.6219	3.6219	2.0390
Cl4	1.7571	2.7348	2.9355		2.9178	2.9178	3.7259
Cl5	1.7813	2.6688	3.6219	2.9178		2.9186	2.8719
Cl6	1.7813	2.6688	3.6219	2.9178	2.9186		2.8719
H7	2.2162	1.1051	2.0390	3.7259	2.8719	2.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.931	C1	C2	H7	112.326
C2	C1	Cl4	111.589	C2	C1	Cl5	106.422
C2	C1	Cl6	106.422	O3	C2	H7	123.743
Cl4	C1	Cl5	111.096	Cl4	C1	Cl6	111.096
Cl5	C1	Cl6	110.012

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)