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	hartrees
Energy at 0K	-1530.462683
Energy at 298.15K	-1530.464271
HF Energy	-1529.581072
Nuclear repulsion energy	431.929801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	2903	32.18
2	A'	1851	1742	111.51
3	A'	1435	1351	10.21
4	A'	1089	1025	26.20
5	A'	904	851	87.05
6	A'	649	611	59.09
7	A'	459	432	2.20
8	A'	330	311	3.87
9	A'	283	266	1.78
10	A'	211	199	3.01
11	A"	1040	979	30.08
12	A"	793	746	111.92
13	A"	336	317	1.84
14	A"	257	242	1.75
15	A"	76	72	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.046	0.000
C2	0.925	-1.224	0.000
O3	0.489	-2.348	0.000
Cl4	-1.667	-0.353	0.000
Cl5	0.489	0.966	1.459
Cl6	0.489	0.966	-1.459
H7	1.998	-0.982	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5457	2.4353	1.7571	1.7812	1.7812	2.2078
C2	1.5457		1.2060	2.7343	2.6676	2.6676	1.0996
O3	2.4353	1.2060		2.9369	3.6212	3.6212	2.0356
Cl4	1.7571	2.7343	2.9369		2.9180	2.9180	3.7182
Cl5	1.7812	2.6676	3.6212	2.9180		2.9185	2.8643
Cl6	1.7812	2.6676	3.6212	2.9180	2.9185		2.8643
H7	2.2078	1.0996	2.0356	3.7182	2.8643	2.8643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.033	C1	C2	H7	112.047
C2	C1	Cl4	111.602	C2	C1	Cl5	106.394
C2	C1	Cl6	106.394	O3	C2	H7	123.920
Cl4	C1	Cl5	111.112	Cl4	C1	Cl6	111.112
Cl5	C1	Cl6	110.021

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)