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	hartrees
Energy at 0K	-117.093758
Energy at 298.15K	-117.105420
HF Energy	-116.812635
Nuclear repulsion energy	115.470319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3040	2934	9.13
2	A₁	1471	1420	6.56
3	A₁	1055	1018	4.68
4	A₁	388	374	4.31
5	A₁	210	203	0.01
6	A₂	322	311	0.00
7	E	3153	3044	7.34
7	E	3153	3044	7.34
8	E	1507	1455	6.73
8	E	1507	1455	6.73
9	E	1127	1088	58.06
9	E	1127	1088	58.06
10	E	618	596	63.78
10	E	618	596	63.78
11	E	276	266	1.49
11	E	276	266	1.49
12	E	149	144	0.00
12	E	149	144	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.473
C2	0.000	0.000	2.021
Br3	0.000	1.905	-0.211
Br4	1.650	-0.952	-0.211
Br5	-1.650	-0.952	-0.211
H6	0.000	-1.037	2.396
H7	0.898	0.518	2.396
H8	-0.898	0.518	2.396

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5482	2.0237	2.0237	2.0237	2.1846	2.1846	2.1846
C2	1.5482		2.9340	2.9340	2.9340	1.1025	1.1025	1.1025
Br3	2.0237	2.9340		3.2992	3.2992	3.9302	3.0857	3.0857
Br4	2.0237	2.9340	3.2992		3.2992	3.0857	3.0857	3.9302
Br5	2.0237	2.9340	3.2992	3.2992		3.0857	3.9302	3.0857
H6	2.1846	1.1025	3.9302	3.0857	3.0857		1.7959	1.7959
H7	2.1846	1.1025	3.0857	3.0857	3.9302	1.7959		1.7959
H8	2.1846	1.1025	3.0857	3.9302	3.0857	1.7959	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.871	C1	C2	H7	109.871
C1	C2	H8	109.871	C2	C1	Br3	109.741
C2	C1	Br4	109.741	C2	C1	Br5	109.741
Br3	C1	Br4	109.200	Br3	C1	Br5	109.200
Br4	C1	Br5	109.200	H6	C2	H7	109.069
H6	C2	H8	109.069	H7	C2	H8	109.069

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

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 CH3CBr3 (1,1,1-tribromoethane)

using model chemistry: MP2/SDD

States and conformations

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