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	hartrees
Energy at 0K	-1522.636860
Energy at 298.15K	-1522.638151
HF Energy	-1522.157301
Nuclear repulsion energy	415.631826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3059	2921	26.54
2	A'	1620	1547	42.49
3	A'	1447	1381	5.34
4	A'	995	950	34.93
5	A'	827	789	71.56
6	A'	600	573	64.92
7	A'	398	380	4.11
8	A'	293	280	3.37
9	A'	249	238	2.83
10	A'	198	189	1.73
11	A"	1052	1005	31.47
12	A"	694	663	109.37
13	A"	320	305	1.98
14	A"	222	212	1.28
15	A"	89	85	6.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.066	0.019	0.000
C2	0.948	-1.242	0.000
O3	0.507	-2.399	0.000
Cl4	-1.729	-0.416	0.000
Cl5	0.507	1.017	1.527
Cl6	0.507	1.017	-1.527
H7	2.014	-0.979	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5388	2.4578	1.8473	1.8772	1.8772	2.1882
C2	1.5388		1.2380	2.8021	2.7626	2.7626	1.0977
O3	2.4578	1.2380		2.9895	3.7422	3.7422	2.0703
Cl4	1.8473	2.8021	2.9895		3.0640	3.0640	3.7852
Cl5	1.8772	2.7626	3.7422	3.0640		3.0545	2.9302
Cl6	1.8772	2.7626	3.7422	3.0640	3.0545		2.9302
H7	2.1882	1.0977	2.0703	3.7852	2.9302	2.9302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.179	C1	C2	H7	111.083
C2	C1	Cl4	111.367	C2	C1	Cl5	107.531
C2	C1	Cl6	107.531	O3	C2	H7	124.737
Cl4	C1	Cl5	110.697	Cl4	C1	Cl6	110.697
Cl5	C1	Cl6	108.893

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)