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	hartrees
Energy at 0K	-1530.507435
Energy at 298.15K	-1530.509066
HF Energy	-1529.587106
Nuclear repulsion energy	433.056083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	2913	20.15
2	A'	1901	1771	129.43
3	A'	1450	1351	10.29
4	A'	1107	1031	22.31
5	A'	913	850	81.00
6	A'	653	608	57.87
7	A'	465	433	1.99
8	A'	333	310	3.32
9	A'	286	267	1.87
10	A'	213	198	3.16
11	A"	1062	989	30.58
12	A"	797	743	103.01
13	A"	340	317	2.38
14	A"	256	238	1.96
15	A"	80	75	7.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.048	0.000
C2	0.921	-1.221	0.000
O3	0.490	-2.337	0.000
Cl4	-1.667	-0.353	0.000
Cl5	0.490	0.962	1.458
Cl6	0.490	0.962	-1.458
H7	1.992	-0.976	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5436	2.4261	1.7549	1.7785	1.7785	2.2021
C2	1.5436		1.1964	2.7294	2.6607	2.6607	1.0982
O3	2.4261	1.1964		2.9298	3.6069	3.6069	2.0269
Cl4	1.7549	2.7294	2.9298		2.9164	2.9164	3.7109
Cl5	1.7785	2.6607	3.6069	2.9164		2.9164	2.8530
Cl6	1.7785	2.6607	3.6069	2.9164	2.9164		2.8530
H7	2.2021	1.0982	2.0269	3.7109	2.8530	2.8530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.126	C1	C2	H7	111.833
C2	C1	Cl4	111.521	C2	C1	Cl5	106.219
C2	C1	Cl6	106.219	O3	C2	H7	124.041
Cl4	C1	Cl5	111.251	Cl4	C1	Cl6	111.251
Cl5	C1	Cl6	110.148

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)