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	hartrees
Energy at 0K	-71.572954
Energy at 298.15K	-71.574217
HF Energy	-71.123843
Nuclear repulsion energy	112.472140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3026	2953	24.11
2	A'	1559	1522	68.41
3	A'	1402	1368	5.58
4	A'	1029	1005	22.13
5	A'	812	792	73.79
6	A'	584	570	64.05
7	A'	404	394	3.50
8	A'	296	289	4.74
9	A'	256	250	1.90
10	A'	194	189	2.71
11	A"	999	975	36.78
12	A"	681	664	103.65
13	A"	309	301	1.68
14	A"	229	223	1.65
15	A"	69	68	9.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.058	0.023	0.000
C2	0.962	-1.256	0.000
O3	0.513	-2.433	0.000
Cl4	-1.748	-0.386	0.000
Cl5	0.513	1.013	1.534
Cl6	0.513	1.013	-1.534
H7	2.042	-1.021	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5660	2.4973	1.8517	1.8815	1.8815	2.2417
C2	1.5660		1.2599	2.8461	2.7754	2.7754	1.1052
O3	2.4973	1.2599		3.0492	3.7719	3.7719	2.0817
Cl4	1.8517	2.8461	3.0492		3.0694	3.0694	3.8426
Cl5	1.8815	2.7754	3.7719	3.0694		3.0677	2.9712
Cl6	1.8815	2.7754	3.7719	3.0694	3.0677		2.9712
H7	2.2417	1.1052	2.0817	3.8426	2.9712	2.9712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.834	C1	C2	H7	112.978
C2	C1	Cl4	112.499	C2	C1	Cl5	106.876
C2	C1	Cl6	106.876	O3	C2	H7	123.189
Cl4	C1	Cl5	110.605	Cl4	C1	Cl6	110.605
Cl5	C1	Cl6	109.218

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)