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	hartrees
Energy at 0K	-72.148562
Energy at 298.15K	-72.150077
HF Energy	-71.278262
Nuclear repulsion energy	116.586060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3044	2900	28.86
2	A'	1744	1661	105.49
3	A'	1398	1332	8.09
4	A'	1074	1023	30.32
5	A'	888	846	98.28
6	A'	639	609	60.31
7	A'	449	428	2.89
8	A'	321	306	4.19
9	A'	274	261	1.25
10	A'	202	193	3.05
11	A"	1007	959	41.33
12	A"	781	744	121.86
13	A"	330	314	2.51
14	A"	254	242	1.53
15	A"	78	74	6.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	0.046	0.000
C2	0.936	-1.230	0.000
O3	0.492	-2.365	0.000
Cl4	-1.678	-0.350	0.000
Cl5	0.492	0.969	1.468
Cl6	0.492	0.969	-1.468
H7	2.015	-0.988	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5588	2.4525	1.7647	1.7916	1.7916	2.2281
C2	1.5588		1.2181	2.7586	2.6814	2.6814	1.1057
O3	2.4525	1.2181		2.9612	3.6426	3.6426	2.0529
Cl4	1.7647	2.7586	2.9612		2.9332	2.9332	3.7480
Cl5	1.7916	2.6814	3.6426	2.9332		2.9361	2.8820
Cl6	1.7916	2.6814	3.6426	2.9332	2.9361		2.8820
H7	2.2281	1.1057	2.0529	3.7480	2.8820	2.8820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.591	C1	C2	H7	112.372
C2	C1	Cl4	112.057	C2	C1	Cl5	106.119
C2	C1	Cl6	106.119	O3	C2	H7	124.037
Cl4	C1	Cl5	111.132	Cl4	C1	Cl6	111.132
Cl5	C1	Cl6	110.053

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)