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	hartrees
Energy at 0K	-1530.480576
Energy at 298.15K	-1530.482198
HF Energy	-1529.580233
Nuclear repulsion energy	433.240535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	2902	23.44
2	A'	1916	1797	110.78
3	A'	1445	1356	10.77
4	A'	1109	1041	23.87
5	A'	917	861	86.55
6	A'	657	617	61.51
7	A'	466	438	2.09
8	A'	334	313	3.83
9	A'	287	269	1.96
10	A'	215	202	3.11
11	A"	1051	986	33.60
12	A"	801	752	107.30
13	A"	341	320	2.20
14	A"	260	244	1.97
15	A"	79	74	7.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.048	0.000
C2	0.924	-1.221	0.000
O3	0.487	-2.334	0.000
Cl4	-1.663	-0.358	0.000
Cl5	0.487	0.964	1.458
Cl6	0.487	0.964	-1.458
H7	2.000	-0.976	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5438	2.4228	1.7540	1.7779	1.7779	2.2080
C2	1.5438		1.1957	2.7266	2.6622	2.6622	1.1041
O3	2.4228	1.1957		2.9205	3.6056	3.6056	2.0330
Cl4	1.7540	2.7266	2.9205		2.9145	2.9145	3.7148
Cl5	1.7779	2.6622	3.6056	2.9145		2.9155	2.8592
Cl6	1.7779	2.6622	3.6056	2.9145	2.9155		2.8592
H7	2.2080	1.1041	2.0330	3.7148	2.8592	2.8592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.857	C1	C2	H7	111.928
C2	C1	Cl4	111.383	C2	C1	Cl5	106.324
C2	C1	Cl6	106.324	O3	C2	H7	124.215
Cl4	C1	Cl5	111.217	Cl4	C1	Cl6	111.217
Cl5	C1	Cl6	110.155

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)