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	hartrees
Energy at 0K	-1530.902609
Energy at 298.15K	-1530.904199
HF Energy	-1529.751979
Nuclear repulsion energy	433.475940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3039	2838	24.62
2	A'	1887	1762	123.83
3	A'	1419	1325	10.57
4	A'	1090	1017	26.49
5	A'	902	842	76.42
6	A'	650	607	56.30
7	A'	459	429	1.97
8	A'	323	302	3.12
9	A'	275	257	1.55
10	A'	204	191	2.91
11	A"	1043	974	28.23
12	A"	791	738	97.72
13	A"	331	309	2.57
14	A"	252	235	1.73
15	A"	84	78	6.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.041	0.000
C2	0.920	-1.225	0.000
O3	0.489	-2.334	0.000
Cl4	-1.666	-0.344	0.000
Cl5	0.489	0.959	1.455
Cl6	0.489	0.959	-1.455
H7	1.992	-0.982	0.000

	C1	C2	O3	Cl4	Cl5	Cl6	H7
C1		1.5403	2.4168	1.7524	1.7772	1.7772	2.2013
C2	1.5403		1.1899	2.7325	2.6595	2.6595	1.0992
O3	2.4168	1.1899		2.9337	3.6003	3.6003	2.0217
Cl4	1.7524	2.7325	2.9337		2.9091	2.9091	3.7137
Cl5	1.7772	2.6595	3.6003	2.9091		2.9097	2.8536
Cl6	1.7772	2.6595	3.6003	2.9091	2.9097		2.8536
H7	2.2013	1.0992	2.0217	3.7137	2.8536	2.8536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	124.052	C1	C2	H7	111.934
C2	C1	Cl4	112.006	C2	C1	Cl5	106.358
C2	C1	Cl6	106.358	O3	C2	H7	124.014
Cl4	C1	Cl5	111.011	Cl4	C1	Cl6	111.011
Cl5	C1	Cl6	109.894

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CCl₃CHO (trichloroacetaldehyde)