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	hartrees
Energy at 0K	-7798.623587
Energy at 298.15K	-7798.615934
HF Energy	-7793.773555
Nuclear repulsion energy	978.715958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3052	6.90
2	A₁	1571	1480	2.32
3	A₁	1141	1075	1.76
4	A₁	446	420	5.97
5	A₁	239	225	0.07
6	A₂	337	317	0.00
7	E	3325	3133	4.99
7	E	3325	3133	4.99
8	E	1628	1534	2.77
8	E	1628	1534	2.77
9	E	1207	1137	49.73
9	E	1207	1137	49.73
10	E	713	672	83.69
10	E	713	672	83.69
11	E	300	283	1.35
11	E	300	283	1.35
12	E	170	160	0.04
12	E	170	160	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.464
C2	0.000	0.000	1.977
Br3	0.000	1.832	-0.206
Br4	1.587	-0.916	-0.206
Br5	-1.587	-0.916	-0.206
H6	0.000	-1.030	2.340
H7	0.892	0.515	2.340
H8	-0.892	0.515	2.340

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5126	1.9510	1.9510	1.9510	2.1398	2.1398	2.1398
C2	1.5126		2.8499	2.8499	2.8499	1.0920	1.0920	1.0920
Br3	1.9510	2.8499		3.1735	3.1735	3.8306	3.0020	3.0020
Br4	1.9510	2.8499	3.1735		3.1735	3.0020	3.0020	3.8306
Br5	1.9510	2.8499	3.1735	3.1735		3.0020	3.8306	3.0020
H6	2.1398	1.0920	3.8306	3.0020	3.0020		1.7839	1.7839
H7	2.1398	1.0920	3.0020	3.0020	3.8306	1.7839		1.7839
H8	2.1398	1.0920	3.0020	3.8306	3.0020	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.681	C1	C2	H7	109.681
C1	C2	H8	109.681	C2	C1	Br3	109.539
C2	C1	Br4	109.539	C2	C1	Br5	109.539
Br3	C1	Br4	109.403	Br3	C1	Br5	109.403
Br4	C1	Br5	109.403	H6	C2	H7	109.260
H6	C2	H8	109.260	H7	C2	H8	109.260

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

using model chemistry: G3

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: G3

States and conformations

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