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	hartrees
Energy at 0K	-1456.724548
Energy at 298.15K	-1456.728496
HF Energy	-1456.003660
Nuclear repulsion energy	361.881488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	2946	1.90
2	A₁	1441	1369	7.62
3	A₁	1127	1071	15.36
4	A₁	546	519	9.10
5	A₁	363	345	0.97
6	A₂	349	332	0.00
7	E	3205	3045	2.69
7	E	3205	3045	2.69
8	E	1489	1414	2.44
8	E	1489	1414	2.44
9	E	1125	1069	60.39
9	E	1125	1069	60.39
10	E	768	730	109.57
10	E	768	730	109.57
11	E	362	344	0.96
11	E	362	344	0.96
12	E	257	244	0.09
12	E	257	244	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.749
C2	0.000	0.000	0.235
H3	0.000	-1.029	2.112
H4	0.891	0.514	2.112
H5	-0.891	0.514	2.112
Cl6	0.000	1.677	-0.358
Cl7	-1.453	-0.839	-0.358
Cl8	1.453	-0.839	-0.358

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5140	1.0910	1.0910	1.0910	2.6931	2.6931	2.6931
C2	1.5140		2.1406	2.1406	2.1406	1.7791	1.7791	1.7791
H3	1.0910	2.1406		1.7820	1.7820	3.6640	2.8718	2.8718
H4	1.0910	2.1406	1.7820		1.7820	2.8718	3.6640	2.8718
H5	1.0910	2.1406	1.7820	1.7820		2.8718	2.8718	3.6640
Cl6	2.6931	1.7791	3.6640	2.8718	2.8718		2.9052	2.9052
Cl7	2.6931	1.7791	2.8718	3.6640	2.8718	2.9052		2.9052
Cl8	2.6931	1.7791	2.8718	2.8718	3.6640	2.9052	2.9052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.468	C1	C2	Cl7	109.468
C1	C2	Cl8	109.468	C2	C1	H3	109.440
C2	C1	H4	109.440	C2	C1	H5	109.440
H3	C1	H4	109.502	H3	C1	H5	109.502
H4	C1	H5	109.502	Cl6	C2	Cl7	109.474
Cl6	C2	Cl8	109.474	Cl7	C2	Cl8	109.474

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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