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	hartrees
Energy at 0K	-116.472503
Energy at 298.15K	-116.484118
HF Energy	-116.191678
Nuclear repulsion energy	114.859619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3041	2928	9.99
2	A₁	1469	1415	7.14
3	A₁	1054	1015	6.76
4	A₁	381	367	4.25
5	A₁	206	199	0.00
6	A₂	324	312	0.00
7	E	3156	3040	8.79
7	E	3156	3040	8.79
8	E	1510	1454	6.98
8	E	1510	1454	6.98
9	E	1129	1087	54.88
9	E	1129	1087	54.88
10	E	600	578	50.63
10	E	600	578	50.63
11	E	273	263	1.40
11	E	273	263	1.40
12	E	147	141	0.01
12	E	147	141	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.474
C2	0.000	0.000	2.022
Br3	0.000	1.922	-0.211
Br4	1.665	-0.961	-0.211
Br5	-1.665	-0.961	-0.211
H6	0.000	-1.037	2.398
H7	0.898	0.518	2.398
H8	-0.898	0.518	2.398

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5482	2.0403	2.0403	2.0403	2.1855	2.1855	2.1855
C2	1.5482		2.9462	2.9462	2.9462	1.1027	1.1027	1.1027
Br3	2.0403	2.9462		3.3290	3.3290	3.9445	3.0955	3.0955
Br4	2.0403	2.9462	3.3290		3.3290	3.0955	3.0955	3.9445
Br5	2.0403	2.9462	3.3290	3.3290		3.0955	3.9445	3.0955
H6	2.1855	1.1027	3.9445	3.0955	3.0955		1.7956	1.7956
H7	2.1855	1.1027	3.0955	3.0955	3.9445	1.7956		1.7956
H8	2.1855	1.1027	3.0955	3.9445	3.0955	1.7956	1.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.923	C1	C2	H7	109.923
C1	C2	H8	109.923	C2	C1	Br3	109.610
C2	C1	Br4	109.610	C2	C1	Br5	109.610
Br3	C1	Br4	109.332	Br3	C1	Br5	109.332
Br4	C1	Br5	109.332	H6	C2	H7	109.015
H6	C2	H8	109.015	H7	C2	H8	109.015

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)

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 CH3CBr3 (1,1,1-tribromoethane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)