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	hartrees
Energy at 0K	-121.820632
Energy at 298.15K	-121.824227
HF Energy	-121.524722
Nuclear repulsion energy	121.596928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3050	2937	6.17
2	A₁	1472	1418	8.38
3	A₁	1098	1057	26.06
4	A₁	479	461	13.56
5	A₁	324	312	1.94
6	A₂	316	304	0.00
7	E	3168	3051	8.04
7	E	3168	3051	8.04
8	E	1517	1461	7.03
8	E	1517	1461	7.03
9	E	1145	1103	57.50
9	E	1145	1103	57.50
10	E	680	655	86.05
10	E	680	655	86.05
11	E	338	326	0.89
11	E	338	326	0.89
12	E	233	224	0.45
12	E	233	224	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.811
C2	0.000	0.000	0.273
H3	0.000	-1.038	2.181
H4	0.899	0.519	2.181
H5	-0.899	0.519	2.181
Cl6	0.000	1.758	-0.373
Cl7	-1.523	-0.879	-0.373
Cl8	1.523	-0.879	-0.373

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5384	1.1018	1.1018	1.1018	2.8045	2.8045	2.8045
C2	1.5384		2.1722	2.1722	2.1722	1.8735	1.8735	1.8735
H3	1.1018	2.1722		1.7977	1.7977	3.7875	2.9782	2.9782
H4	1.1018	2.1722	1.7977		1.7977	2.9782	3.7875	2.9782
H5	1.1018	2.1722	1.7977	1.7977		2.9782	2.9782	3.7875
Cl6	2.8045	1.8735	3.7875	2.9782	2.9782		3.0458	3.0458
Cl7	2.8045	1.8735	2.9782	3.7875	2.9782	3.0458		3.0458
Cl8	2.8045	1.8735	2.9782	2.9782	3.7875	3.0458	3.0458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.182	C1	C2	Cl7	110.182
C1	C2	Cl8	110.182	C2	C1	H3	109.609
C2	C1	H4	109.609	C2	C1	H5	109.609
H3	C1	H4	109.333	H3	C1	H5	109.333
H4	C1	H5	109.333	Cl6	C2	Cl7	108.751
Cl6	C2	Cl8	108.751	Cl7	C2	Cl8	108.751

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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