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	hartrees
Energy at 0K	-1456.130402
Energy at 298.15K	-1456.133975
HF Energy	-1455.786617
Nuclear repulsion energy	345.134147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3046	2940	6.18
2	A₁	1471	1420	8.00
3	A₁	1096	1058	23.89
4	A₁	476	459	11.97
5	A₁	319	308	1.69
6	A₂	319	308	0.00
7	E	3163	3053	7.49
7	E	3163	3053	7.49
8	E	1515	1463	7.03
8	E	1515	1463	7.03
9	E	1143	1103	56.63
9	E	1143	1103	56.63
10	E	677	653	84.10
10	E	677	653	84.10
11	E	335	323	0.88
11	E	335	323	0.88
12	E	230	222	0.41
12	E	230	222	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.816
C2	0.000	0.000	0.278
H3	0.000	-1.038	2.186
H4	0.899	0.519	2.186
H5	-0.899	0.519	2.186
Cl6	0.000	1.765	-0.375
Cl7	-1.529	-0.883	-0.375
Cl8	1.529	-0.883	-0.375

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5380	1.1021	1.1021	1.1021	2.8133	2.8133	2.8133
C2	1.5380		2.1723	2.1723	2.1723	1.8820	1.8820	1.8820
H3	1.1021	2.1723		1.7979	1.7979	3.7969	2.9865	2.9865
H4	1.1021	2.1723	1.7979		1.7979	2.9865	3.7969	2.9865
H5	1.1021	2.1723	1.7979	1.7979		2.9865	2.9865	3.7969
Cl6	2.8133	1.8820	3.7969	2.9865	2.9865		3.0575	3.0575
Cl7	2.8133	1.8820	2.9865	3.7969	2.9865	3.0575		3.0575
Cl8	2.8133	1.8820	2.9865	2.9865	3.7969	3.0575	3.0575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.287	C1	C2	Cl7	110.287
C1	C2	Cl8	110.287	C2	C1	H3	109.631
C2	C1	H4	109.631	C2	C1	H5	109.631
H3	C1	H4	109.311	H3	C1	H5	109.311
H4	C1	H5	109.311	Cl6	C2	Cl7	108.643
Cl6	C2	Cl8	108.643	Cl7	C2	Cl8	108.643

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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