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	hartrees
Energy at 0K	-1456.497965
Energy at 298.15K	-1456.501957
HF Energy	-1455.909430
Nuclear repulsion energy	362.730520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	2949	2.81
2	A₁	1519	1403	9.08
3	A₁	1164	1075	12.64
4	A₁	565	522	10.88
5	A₁	374	345	2.02
6	A₂	331	305	0.00
7	E	3288	3037	3.03
7	E	3288	3037	3.03
8	E	1574	1454	4.17
8	E	1574	1454	4.17
9	E	1187	1097	61.53
9	E	1187	1097	61.53
10	E	810	748	105.56
10	E	810	748	105.56
11	E	368	340	0.50
11	E	368	340	0.50
12	E	262	242	0.39
12	E	262	242	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.756
C2	0.000	0.000	0.241
H3	0.000	-1.024	2.118
H4	0.887	0.512	2.118
H5	-0.887	0.512	2.118
Cl6	0.000	1.670	-0.360
Cl7	-1.446	-0.835	-0.360
Cl8	1.446	-0.835	-0.360

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5152	1.0861	1.0861	1.0861	2.6956	2.6956	2.6956
C2	1.5152		2.1384	2.1384	2.1384	1.7749	1.7749	1.7749
H3	1.0861	2.1384		1.7736	1.7736	3.6604	2.8753	2.8753
H4	1.0861	2.1384	1.7736		1.7736	2.8753	3.6604	2.8753
H5	1.0861	2.1384	1.7736	1.7736		2.8753	2.8753	3.6604
Cl6	2.6956	1.7749	3.6604	2.8753	2.8753		2.8930	2.8930
Cl7	2.6956	1.7749	2.8753	3.6604	2.8753	2.8930		2.8930
Cl8	2.6956	1.7749	2.8753	2.8753	3.6604	2.8930	2.8930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.776	C1	C2	Cl7	109.776
C1	C2	Cl8	109.776	C2	C1	H3	109.470
C2	C1	H4	109.470	C2	C1	H5	109.470
H3	C1	H4	109.473	H3	C1	H5	109.473
H4	C1	H5	109.472	Cl6	C2	Cl7	109.165
Cl6	C2	Cl8	109.165	Cl7	C2	Cl8	109.165

All results from a given calculation for CH₃CCl₃ (Ethane, 1,1,1-trichloro-)

using model chemistry: CID/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 CH3CCl3 (Ethane, 1,1,1-trichloro-)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for CH₃CCl₃ (Ethane, 1,1,1-trichloro-)