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	hartrees
Energy at 0K	-1530.444634
Energy at 298.15K	-1530.446238
HF Energy	-1529.579796
Nuclear repulsion energy	432.539727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	2900	25.81
2	A'	1889	1788	99.56
3	A'	1435	1358	10.18
4	A'	1100	1041	24.48
5	A'	917	868	82.32
6	A'	654	619	59.02
7	A'	464	439	1.95
8	A'	332	315	3.79
9	A'	286	270	1.85
10	A'	213	202	3.00
11	A"	1044	988	34.46
12	A"	804	761	101.20
13	A"	338	320	1.97
14	A"	259	245	1.97
15	A"	77	73	7.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.046	0.045	0.000
C2	0.925	-1.223	0.000
O3	0.487	-2.342	0.000
Cl4	-1.664	-0.354	0.000
Cl5	0.487	0.965	1.457
Cl6	0.487	0.965	-1.457
H7	2.004	-0.988	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5435	2.4280	1.7556	1.7789	1.7789	2.2146
C2	1.5435		1.2018	2.7313	2.6655	2.6655	1.1044
O3	2.4280	1.2018		2.9294	3.6143	3.6143	2.0336
Cl4	1.7556	2.7313	2.9294		2.9138	2.9138	3.7228
Cl5	1.7789	2.6655	3.6143	2.9138		2.9143	2.8708
Cl6	1.7789	2.6655	3.6143	2.9138	2.9143		2.8708
H7	2.2146	1.1044	2.0336	3.7228	2.8708	2.8708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	123.882	C1	C2	H7	112.451
C2	C1	Cl4	111.602	C2	C1	Cl5	106.477
C2	C1	Cl6	106.477	O3	C2	H7	123.667
Cl4	C1	Cl5	111.050	Cl4	C1	Cl6	111.050
Cl5	C1	Cl6	109.990

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

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

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)