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	hartrees
Energy at 0K	-7758.434936
Energy at 298.15K	-7758.446754
HF Energy	-7757.847206
Nuclear repulsion energy	975.082565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	2950	0.98
2	A₁	1497	1424	11.16
3	A₁	1038	987	4.25
4	A₁	422	402	5.41
5	A₁	219	208	0.15
6	A₂	325	309	0.00
7	E	3191	3036	1.51
7	E	3191	3036	1.51
8	E	1576	1499	4.78
8	E	1576	1499	4.78
9	E	1171	1114	45.26
9	E	1171	1114	45.26
10	E	680	647	66.20
10	E	680	647	66.19
11	E	280	267	0.86
11	E	280	267	0.86
12	E	152	144	0.09
12	E	152	144	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.464
C2	0.000	0.000	1.998
Br3	0.000	1.838	-0.208
Br4	1.592	-0.919	-0.208
Br5	-1.592	-0.919	-0.208
H6	0.000	-1.033	2.354
H7	0.895	0.517	2.354
H8	-0.895	0.517	2.354

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5338	1.9569	1.9569	1.9569	2.1544	2.1544	2.1544
C2	1.5338		2.8712	2.8712	2.8712	1.0932	1.0932	1.0932
Br3	1.9569	2.8712		3.1833	3.1833	3.8484	3.0187	3.0187
Br4	1.9569	2.8712	3.1833		3.1833	3.0187	3.0187	3.8484
Br5	1.9569	2.8712	3.1833	3.1833		3.0187	3.8484	3.0187
H6	2.1544	1.0932	3.8484	3.0187	3.0187		1.7899	1.7899
H7	2.1544	1.0932	3.0187	3.0187	3.8484	1.7899		1.7899
H8	2.1544	1.0932	3.0187	3.8484	3.0187	1.7899	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.034	C1	C2	H7	109.034
C1	C2	H8	109.034	C2	C1	Br3	110.086
C2	C1	Br4	110.086	C2	C1	Br5	110.086
Br3	C1	Br4	108.849	Br3	C1	Br5	108.849
Br4	C1	Br5	108.849	H6	C2	H7	109.905
H6	C2	H8	109.905	H7	C2	H8	109.905

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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