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	hartrees
Energy at 0K	-1530.286906
Energy at 298.15K	-1530.288626
HF Energy	-1529.580995
Nuclear repulsion energy	434.722915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	2936	24.76
2	A'	1972	1826	148.52
3	A'	1480	1370	13.18
4	A'	1137	1052	26.64
5	A'	948	878	93.56
6	A'	676	626	65.39
7	A'	479	444	2.05
8	A'	342	317	4.12
9	A'	294	272	2.08
10	A'	219	203	3.34
11	A"	1096	1015	31.77
12	A"	833	771	119.24
13	A"	350	324	2.25
14	A"	267	247	2.20
15	A"	82	76	8.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.044	0.000
C2	0.921	-1.221	0.000
O3	0.486	-2.327	0.000
Cl4	-1.657	-0.350	0.000
Cl5	0.486	0.959	1.451
Cl6	0.486	0.959	-1.451
H7	1.991	-0.986	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5381	2.4122	1.7476	1.7708	1.7708	2.2016
C2	1.5381		1.1893	2.7211	2.6542	2.6542	1.0955
O3	2.4122	1.1893		2.9161	3.5926	3.5926	2.0160
Cl4	1.7476	2.7211	2.9161		2.9001	2.9001	3.7032
Cl5	1.7708	2.6542	3.5926	2.9001		2.9013	2.8556
Cl6	1.7708	2.6542	3.5926	2.9001	2.9013		2.8556
H7	2.2016	1.0955	2.0160	3.7032	2.8556	2.8556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.856	C1	C2	H7	112.341
C2	C1	Cl4	111.662	C2	C1	Cl5	106.458
C2	C1	Cl6	106.458	O3	C2	H7	123.803
Cl4	C1	Cl5	111.029	Cl4	C1	Cl6	111.029
Cl5	C1	Cl6	110.010

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)